Standard Article

Palladium(II) Bromide

  1. Stuart J. Mahoney,
  2. Eric Fillion

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01617

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Mahoney, S. J. and Fillion, E. 2013. Palladium(II) Bromide. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. University of Waterloo, Waterloo, Ontario, Canada

Publication History

  1. Published Online: 16 SEP 2013

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  1. 1 - 191
Compound Information
Drug synonym:Not Available
Molecular Weight:104.1491
Molecular Formula:C8H8
SMILES:C=CC1=CC=CC=C1
InChI:1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey:PPBRXRYQALVLMV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:28.0101
Molecular Formula:CO
SMILES:[C-]#[O+]
InChI:1S/CO/c1-2
InChIKey:UGFAIRIUMAVXCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:CC(C(O)=O)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:OC(=O)CCC1=CC=CC=C1
InChI:1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey:XMIIGOLPHOKFCH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.23
Molecular Formula:Br2Pd
SMILES:Br[Pd]Br
InChI:1S/2BrH.Pd/h2*1H;/q;;+2/p-2
InChIKey:INIOZDBICVTGEO-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.2855
Molecular Formula:C18H15P
SMILES:C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:36.461
Molecular Formula:ClH
SMILES:Cl[H]
InChI:1S/ClH/h1H
InChIKey:VEXZGXHMUGYJMC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:173.1681
Molecular Formula:C10H7NO2
SMILES:C=CN1C(=O)C2=C(C=CC=C2)C1=O
InChI:1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2
InChIKey:IGDLZDCWMRPMGL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:32.0419
Molecular Formula:CH4O
SMILES:CO
InChI:1S/CH4O/c1-2/h2H,1H3
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:233.22
Molecular Formula:C12H11NO4
SMILES:COC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChI:1S/C12H11NO4/c1-7(12(16)17-2)13-10(14)8-5-3-4-6-9(8)11(13)15/h3-7H,1-2H3
InChIKey:NNHVWQRYVXVZLH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:233.22
Molecular Formula:C12H11NO4
SMILES:COC(=O)CCN1C(=O)c2ccccc2C1=O
InChI:1S/C12H11NO4/c1-17-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12(13)16/h2-5H,6-7H2,1H3
InChIKey:IACYEVDEQNXLSN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.452
Molecular Formula:Cl2Cu
SMILES:Cl[Cu]Cl
InChI:1S/2ClH.Cu/h2*1H;/q;;+2/p-2
InChIKey:ORTQZVOHEJQUHG-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:369.3682
Molecular Formula:C16H36IN
SMILES:[I-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:DPKBAXPHAYBPRL-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.1332
Molecular Formula:C8H6
SMILES:C#CC1=CC=CC=C1
InChI:1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey:UEXCJVNBTNXOEH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.1693
Molecular Formula:C10H8O2
SMILES:COC(=O)C#CC1=CC=CC=C1
InChI:1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3
InChIKey:JFGWPXKGINUNDH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.354
Molecular Formula:Br2Cu
SMILES:Br[Cu]Br
InChI:1S/2BrH.Cu/h2*1H;/q;;+2/p-2
InChIKey:QTMDXZNDVAMKGV-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.0066
Molecular Formula:CHNaO3
SMILES:[Na+].OC([O-])=O
InChI:1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey:UIIMBOGNXHQVGW-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1528
Molecular Formula:C10H6O3
SMILES:O=C1OC(=O)C(=C1)C1=CC=CC=C1
InChI:1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H
InChIKey:QZYCWJVSPFQUQC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:74.1216
Molecular Formula:C4H10O
SMILES:CC(C)(C)O
InChI:1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey:DKGAVHZHDRPRBM-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzenol, carbolic acid, hydroxybenzene, phenylic acid
Molecular Weight:94.1112
Molecular Formula:C6H6O
SMILES:[H]C1=CC=C(O)C=C1
InChI:1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:214.2167
Molecular Formula:C13H10O3
SMILES:O=C(OC1=CC=CC=C1)OC1=CC=CC=C1
InChI:1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChIKey:ROORDVPLFPIABK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.634
Molecular Formula:C4H6CuO4
SMILES:[Cu++].CC([O-])=O.CC([O-])=O
InChI:1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:OPQARKPSCNTWTJ-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:322.368
Molecular Formula:C16H36BrN
SMILES:[Br-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:1,4‐benzenediol, p‐dihydroxybenzene
Molecular Weight:110.1106
Molecular Formula:C6H6O2
SMILES:OC1=CC=C(O)C=C1
InChI:1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKey:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:62.0678
Molecular Formula:C2H6O2
SMILES:OCCO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.0621
Molecular Formula:C3H4O3
SMILES:O=C1OCCO1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:352.2617
Molecular Formula:C15H21MnO6
SMILES:CC(=O)\C=C(\C)O[Mn](O\C(C)=C/C(C)=O)O\C(C)=C/C(C)=O
InChI:1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey:HYZQBNDRDQEWAN-LNTINUHCSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:90.121
Molecular Formula:C4H10O2
SMILES:COCCOC
InChI:1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKey:XTHFKEDIFFGKHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:dl‐1‐phenylethanol, Î±â€methylbenzyl alcohol
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:CC(O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey:WAPNOHKVXSQRPX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:C[C@H](O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey:WAPNOHKVXSQRPX-ZETCQYMHSA-N
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Compound Information
Drug synonym:1‐Phenylethanone, phenyl methyl ketone
Molecular Weight:120.1485
Molecular Formula:C8H8O
SMILES:CC(=O)C1=CC=CC=C1
InChI:1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.3803
Molecular Formula:C15H26N2
SMILES:[H][C@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3CCCC[C@]13[H])C2
InChI:1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
InChIKey:SLRCCWJSBJZJBV-ZQDZILKHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:243.324
Molecular Formula:C14H13NOS
SMILES:COc1cccc(NC(=S)c2ccccc2)c1
InChI:1S/C14H13NOS/c1-16-13-9-5-8-12(10-13)15-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,15,17)
InChIKey:GOYIIRLPJQEQGV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:241.308
Molecular Formula:C14H11NOS
SMILES:COc1ccc2sc(nc2c1)-c1ccccc1
InChI:1S/C14H11NOS/c1-16-11-7-8-13-12(9-11)15-14(17-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey:BCHRNEHKMGUVHK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.45
Molecular Formula:CuI
SMILES:[Cu+].[I-]
InChI:1S/Cu.HI/h;1H/q+1;/p-1
InChIKey:LSXDOTMGLUJQCM-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:99.1311
Molecular Formula:C5H9NO
SMILES:CN1CCCC1=O
InChI:1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey:SECXISVLQFMRJM-UHFFFAOYSA-N
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Compound Information
Drug synonym:dimethyl sulphoxide
Molecular Weight:78.133
Molecular Formula:C2H6OS
SMILES:CS(C)=O
InChI:1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKey:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:169.2224
Molecular Formula:C12H11N
SMILES:[H]C1=CC=CC(C2=NC=CC=C2)=C1C
InChI:1S/C12H11N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-9H,1H3
InChIKey:GRTWYIODJKVPEV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:248.118
Molecular Formula:C12H10BrN
SMILES:Cc1cccc(Br)c1-c1ccccn1
InChI:1S/C12H10BrN/c1-9-5-4-6-10(13)12(9)11-7-2-3-8-14-11/h2-8H,1H3
InChIKey:CEQODLJFXAALGY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:80.912
Molecular Formula:BrH
SMILES:Br[H]
InChI:1S/BrH/h1H
InChIKey:CPELXLSAUQHCOX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:87.1204
Molecular Formula:C4H9NO
SMILES:CN(C)C(C)=O
InChI:1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChIKey:FXHOOIRPVKKKFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.3343
Molecular Formula:C18H18O2
SMILES:COc1cccc(C=C2CC2)c1OCc1ccccc1
InChI:1S/C18H18O2/c1-19-17-9-5-8-16(12-14-10-11-14)18(17)20-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3
InChIKey:RIJBIXNMGGJTEL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.3343
Molecular Formula:C18H18O2
SMILES:COc1cccc(C2=CCC2)c1OCc1ccccc1
InChI:1S/C18H18O2/c1-19-17-12-6-11-16(15-9-5-10-15)18(17)20-13-14-7-3-2-4-8-14/h2-4,6-9,11-12H,5,10,13H2,1H3
InChIKey:LWVJHVJOYUCXQT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.51
Molecular Formula:C4H6O4Pd
SMILES:[Pd++].CC([O-])=O.CC([O-])=O
InChI:1S/2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:YJVFFLUZDVXJQI-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2124
Molecular Formula:C11H12O
SMILES:OCC1C\C1=C/c1ccccc1
InChI:1S/C11H12O/c12-8-11-7-10(11)6-9-4-2-1-3-5-9/h1-6,11-12H,7-8H2/b10-6+
InChIKey:GWSBTYVRIBPLTQ-UXBLZVDNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2124
Molecular Formula:C11H12O
SMILES:OCC1CC(=C1)c1ccccc1
InChI:1S/C11H12O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-6,9,12H,7-8H2
InChIKey:TUWBRMPIVMAFAN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2124
Molecular Formula:C11H12O
SMILES:OCC1CC=C1c1ccccc1
InChI:1S/C11H12O/c12-8-10-6-7-11(10)9-4-2-1-3-5-9/h1-5,7,10,12H,6,8H2
InChIKey:YICBLQKQIACLER-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:177.33
Molecular Formula:Cl2Pd
SMILES:Cl[Pd]Cl
InChI:1S/2ClH.Pd/h2*1H;/q;;+2/p-2
InChIKey:PIBWKRNGBLPSSY-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:239.108
Molecular Formula:C11H11BrO
SMILES:BrCC1=CCOC1c1ccccc1
InChI:1S/C11H11BrO/c12-8-10-6-7-13-11(10)9-4-2-1-3-5-9/h1-6,11H,7-8H2
InChIKey:SJYZDOAWYZYHKJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:239.108
Molecular Formula:C11H11BrO
SMILES:Br[C@@H]1CO[C@H](C1=C)c1ccccc1
InChI:1S/C11H11BrO/c1-8-10(12)7-13-11(8)9-5-3-2-4-6-9/h2-6,10-11H,1,7H2/t10-,11-/m1/s1
InChIKey:OQVUREYHNNDUCS-GHMZBOCLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:248.319
Molecular Formula:C18H16O
SMILES:O=C(Cc1ccccc1)C1C\C1=C/c1ccccc1
InChI:1S/C18H16O/c19-18(12-15-9-5-2-6-10-15)17-13-16(17)11-14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11+
InChIKey:SXLYXNQJIADDPI-LFIBNONCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.3343
Molecular Formula:C18H18O2
SMILES:O=C(CCCC(=O)c1ccccc1)Cc1ccccc1
InChI:1S/C18H18O2/c19-17(14-15-8-3-1-4-9-15)12-7-13-18(20)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2
InChIKey:XFIIIXGVPPJBBO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:23.99771
Molecular Formula:HNa
SMILES:[Na][H]
InChI:1S/Na.H
InChIKey:MPMYQQHEHYDOCL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2292
Molecular Formula:C14H10
SMILES:C1=CC=C(C=C1)C#CC1=CC=CC=C1
InChI:1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
InChIKey:JRXXLCKWQFKACW-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzil, dibenzoyl, diphenylethanedione, diphenylglyoxal
Molecular Weight:210.228
Molecular Formula:C14H10O2
SMILES:O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChIKey:WURBFLDFSFBTLW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:C1COCCO1
InChI:1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey:RYHBNJHYFVUHQT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2435
Molecular Formula:C11H16O2
SMILES:CC(C)C(=O)OC1(CCCC1)C#C
InChI:1S/C11H16O2/c1-4-11(7-5-6-8-11)13-10(12)9(2)3/h1,9H,5-8H2,2-3H3
InChIKey:HRIIZEFRTGDINJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.2429
Molecular Formula:C11H16O3
SMILES:CC(C)C(=O)OC(C=O)=C1CCCC1
InChI:1S/C11H16O3/c1-8(2)11(13)14-10(7-12)9-5-3-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey:HIPIFEXWLFQBRB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.2756
Molecular Formula:C14H16O2
SMILES:CC(C)(C)C(=O)OC(C#C)c1ccccc1
InChI:1S/C14H16O2/c1-5-12(11-9-7-6-8-10-11)16-13(15)14(2,3)4/h1,6-10,12H,2-4H3
InChIKey:QJVNSOIMAINTGR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:232.275
Molecular Formula:C14H16O3
SMILES:CC(C)(C)C(=O)O\C(C=O)=C/c1ccccc1
InChI:1S/C14H16O3/c1-14(2,3)13(16)17-12(10-15)9-11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9-
InChIKey:BQRXIMFPYVSLQN-XFXZXTDPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:202.272
Molecular Formula:C12H10OS
SMILES:O=S(C1=CC=CC=C1)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1436
Molecular Formula:C6H10
SMILES:CCCCC#C
InChI:1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKey:CGHIBGNXEGJPQZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:324.095
Molecular Formula:C12H20Br2
SMILES:CCCC\C(Br)=C\C=C(/Br)CCCC
InChI:1S/C12H20Br2/c1-3-5-7-11(13)9-10-12(14)8-6-4-2/h9-10H,3-8H2,1-2H3/b11-9-,12-10-
InChIKey:UAHIPIDGXLYDKG-HWAYABPNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:78.1118
Molecular Formula:C6H6
SMILES:C1=CC=CC=C1
InChI:1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:285.178
Molecular Formula:C16H13Br
SMILES:Br\C(=C/C=C/c1ccccc1)c1ccccc1
InChI:1S/C16H13Br/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,16-13-
InChIKey:KFUNSEUAYODBOL-SBFJKYRKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.845
Molecular Formula:BrLi
SMILES:[Li+].[Br-]
InChI:1S/BrH.Li/h1H;/q;+1/p-1
InChIKey:AMXOYNBUYSYVKV-UHFFFAOYSA-M
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Compound Information
Drug synonym:ethanoic acid
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:CC(O)=O
InChI:1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:279.129
Molecular Formula:C13H11BrO2
SMILES:BrC\C=C/COC(=O)C#Cc1ccccc1
InChI:1S/C13H11BrO2/c14-10-4-5-11-16-13(15)9-8-12-6-2-1-3-7-12/h1-7H,10-11H2/b5-4-
InChIKey:MKLJNMMNKULOSX-PLNGDYQASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:279.129
Molecular Formula:C13H11BrO2
SMILES:Br\C(=C1/C(COC1=O)C=C)c1ccccc1
InChI:1S/C13H11BrO2/c1-2-9-8-16-13(15)11(9)12(14)10-6-4-3-5-7-10/h2-7,9H,1,8H2/b12-11+
InChIKey:IKRFUYQCZNGPOK-VAWYXSNFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1164
Molecular Formula:C5H8O
SMILES:CC(C)(O)C#C
InChI:1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
InChIKey:CEBKHWWANWSNTI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.0892
Molecular Formula:C4H6O2
SMILES:COC(=O)C=C
InChI:1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InChIKey:BAPJBEWLBFYGME-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:233.102
Molecular Formula:C9H13BrO2
SMILES:COC(=O)C\C=C\C(Br)=C(C)C
InChI:1S/C9H13BrO2/c1-7(2)8(10)5-4-6-9(11)12-3/h4-5H,6H2,1-3H3/b5-4+
InChIKey:ZGLBSCNWULNXOM-SNAWJCMRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:241.081
Molecular Formula:C10H9BrO2
SMILES:COC(=O)\C=C(/Br)c1ccccc1
InChI:1S/C10H9BrO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey:HLMMDRWAOYNOQZ-CLFYSBASSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.3609
Molecular Formula:C19H19N
SMILES:CC(C)(C)\N=C\C1=CC=CC=C1C#CC1=CC=CC=C1
InChI:1S/C19H19N/c1-19(2,3)20-15-18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h4-12,15H,1-3H3/b20-15+
InChIKey:ODEVRNRFGMQRIK-HMMYKYKNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.169
Molecular Formula:C7H12O2
SMILES:CCCCOC(=O)C=C
InChI:1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey:CQEYYJKEWSMYFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:331.4076
Molecular Formula:C22H21NO2
SMILES:CCCCOC(=O)\C=C\c1c(ncc2ccccc12)-c1ccccc1
InChI:1S/C22H21NO2/c1-2-3-15-25-21(24)14-13-20-19-12-8-7-11-18(19)16-23-22(20)17-9-5-4-6-10-17/h4-14,16H,2-3,15H2,1H3/b14-13+
InChIKey:BTJYYFCHANRHHV-BUHFOSPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.0338
Molecular Formula:C2H3NaO2
SMILES:[Na+].CC([O-])=O
InChI:1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey:VMHLLURERBWHNL-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.3049
Molecular Formula:C14H17N3
SMILES:CCCCCC#Cc1ccccc1CN=[N+]=[N-]
InChI:1S/C14H17N3/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-16-17-15/h7-8,10-11H,2-5,12H2,1H3
InChIKey:HPEHHORSAUTTBC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:280.203
Molecular Formula:C14H18BrN
SMILES:CCCCCC1=C(Br)c2ccccc2CN1
InChI:1S/C14H18BrN/c1-2-3-4-9-13-14(15)12-8-6-5-7-11(12)10-16-13/h5-8,16H,2-4,9-10H2,1H3
InChIKey:UFEIZGYEGUPMCY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:219.2414
Molecular Formula:C14H9N3
SMILES:[N-]=[N+]=NC1=CC=CC=C1C#CC1=CC=CC=C1
InChI:1S/C14H9N3/c15-17-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H
InChIKey:YKBGFFWGZZUUKZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:272.14
Molecular Formula:C14H10BrN
SMILES:Brc1c([nH]c2ccccc12)-c1ccccc1
InChI:1S/C14H10BrN/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,16H
InChIKey:VAGWLVWXXFXWIZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:235.2805
Molecular Formula:C16H13NO
SMILES:[H]C1=CC=C(NC(C)=O)C(=C1)C#CC1=CC=CC=C1
InChI:1S/C16H13NO/c1-13(18)17-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10H,1H3,(H,17,18)
InChIKey:DQFSUQYFFXVNRP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:314.177
Molecular Formula:C16H12BrNO
SMILES:CC(=O)n1c(c(Br)c2ccccc12)-c1ccccc1
InChI:1S/C16H12BrNO/c1-11(19)18-14-10-6-5-9-13(14)15(17)16(18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey:KRYNXQKXZUXFPH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:235.2805
Molecular Formula:C16H13NO
SMILES:CC(=O)N1C(=CC2=CC=CC=C12)C1=CC=CC=C1
InChI:1S/C16H13NO/c1-12(18)17-15-10-6-5-9-14(15)11-16(17)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey:WXKQMCXQOXPSKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:245.3169
Molecular Formula:C15H19NO2
SMILES:CCCC#Cc1ccccc1N(COC)C(C)=O
InChI:1S/C15H19NO2/c1-4-5-6-9-14-10-7-8-11-15(14)16(12-18-3)13(2)17/h7-8,10-11H,4-5,12H2,1-3H3
InChIKey:DAZOMIYGUPYXCE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:245.3169
Molecular Formula:C15H19NO2
SMILES:CCCc1c(C(C)=O)c2ccccc2n1COC
InChI:1S/C15H19NO2/c1-4-7-14-15(11(2)17)12-8-5-6-9-13(12)16(14)10-18-3/h5-6,8-9H,4,7,10H2,1-3H3
InChIKey:CBGMJTVGDVXTOT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:229.3605
Molecular Formula:C16H23N
SMILES:CCCCCCCCC#Cc1ccccc1N
InChI:1S/C16H23N/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14H,2-8,17H2,1H3
InChIKey:NWXZLLJLBXWHPE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:336.267
Molecular Formula:C17H22BrNO
SMILES:CCCCCCCC\C(Br)=C1/C(=O)Nc2ccccc12
InChI:1S/C17H22BrNO/c1-2-3-4-5-6-7-11-14(18)16-13-10-8-9-12-15(13)19-17(16)20/h8-10,12H,2-7,11H2,1H3,(H,19,20)/b16-14+
InChIKey:WQJBOAAZBASJLH-JQIJEIRASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:194.2286
Molecular Formula:C14H10O
SMILES:Oc1ccccc1C#Cc1ccccc1
InChI:1S/C14H10O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9,15H
InChIKey:PIOMIFUUXIDECW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:273.125
Molecular Formula:C14H9BrO
SMILES:Brc1c(oc2ccccc12)-c1ccccc1
InChI:1S/C14H9BrO/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey:QSSFMPOSAICFNG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:229.1024
Molecular Formula:C6H16IN
SMILES:[I-].CC[NH+](CC)CC
InChI:1S/C6H15N.HI/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKey:XEWVCDMEDQYCHX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1436
Molecular Formula:C6H10
SMILES:CC(C)(C)C#C
InChI:1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
InChIKey:PPWNCLVNXGCGAF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:246.4308
Molecular Formula:C18H30
SMILES:CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
InChI:1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
InChIKey:GUFMBISUSZUUCB-UHFFFAOYSA-N
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Compound Information
Drug synonym:butyl alcohol
Molecular Weight:74.1216
Molecular Formula:C4H10O
SMILES:CCCCO
InChI:1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey:LRHPLDYGYMQRHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:324.095
Molecular Formula:C12H20Br2
SMILES:CC(C)(C)C(\Br)=C\C=C(/Br)C(C)(C)C
InChI:1S/C12H20Br2/c1-11(2,3)9(13)7-8-10(14)12(4,5)6/h7-8H,1-6H3/b9-7-,10-8-
InChIKey:PWACTXPMJMALAP-XOHWUJONSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.2713
Molecular Formula:C12H18
SMILES:CC(C)(C)C#CC#CC(C)(C)C
InChI:1S/C12H18/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3
InChIKey:VCVMWFDNPLLHKP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1271
Molecular Formula:C6H8O
SMILES:O=C1CCCC=C1
InChI:1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey:FWFSEYBSWVRWGL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.3709
Molecular Formula:C12H20O3Si
SMILES:CCO[Si](OCC)(OCC)C1=CC=CC=C1
InChI:1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKey:JCVQKRGIASEUKR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.239
Molecular Formula:C12H14O
SMILES:O=C1CCCC(C1)C1=CC=CC=C1
InChI:1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey:CJAUDSQXFVZPTO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.2231
Molecular Formula:C12H12O
SMILES:O=C1CCCC(=C1)C1=CC=CC=C1
InChI:1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey:DIELDZAPFMXAHA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.12
Molecular Formula:Cl3Sb
SMILES:Cl[Sb](Cl)Cl
InChI:1S/3ClH.Sb/h3*1H;/q;;;+3/p-3
InChIKey:FAPDDOBMIUGHIN-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.4621
Molecular Formula:C16H36FN
SMILES:[F-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:FPGGTKZVZWFYPV-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:697.773
Molecular Formula:C37H31NO9S2
SMILES:O=C(OC[C@H]1O[C@@H](SC2=NCCS2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChI:1S/C37H31NO9S2/c39-32(24-13-5-1-6-14-24)43-23-28-29(45-33(40)25-15-7-2-8-16-25)30(46-34(41)26-17-9-3-10-18-26)31(36(44-28)49-37-38-21-22-48-37)47-35(42)27-19-11-4-12-20-27/h1-20,28-31,36H,21-23H2/t28-,29-,30+,31-,36+/m1/s1
InChIKey:ZUJMHBJTYIUZJQ-LDDHDNMNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1453.56
Molecular Formula:C60H54Br2N2O16PdS4
SMILES:Br[Pd]Br.OC[C@H]1O[C@@H](SC2=NCCS2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.OC[C@H]1O[C@@H](SC2=NCCS2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChI:1S/2C30H27NO8S2.2BrH.Pd/c2*32-18-22-23(37-26(33)19-10-4-1-5-11-19)24(38-27(34)20-12-6-2-7-13-20)25(29(36-22)41-30-31-16-17-40-30)39-28(35)21-14-8-3-9-15-21;;;/h2*1-15,22-25,29,32H,16-18H2;2*1H;/q;;;;+2/p-2/t2*22-,23-,24+,25-,29+;;;/m11.../s1
InChIKey:QOYOFSRQEMHIID-DRKXCJCDSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:1172.232
Molecular Formula:C64H53NO17S2
SMILES:O=C(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](SC3=NCCS3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChI:1S/C64H53NO17S2/c66-55(40-22-8-1-9-23-40)73-38-47-49(77-56(67)41-24-10-2-11-25-41)51(79-58(69)43-28-14-4-15-29-43)53(81-60(71)45-32-18-6-19-33-45)62(75-47)74-39-48-50(78-57(68)42-26-12-3-13-27-42)52(80-59(70)44-30-16-5-17-31-44)54(63(76-48)84-64-65-36-37-83-64)82-61(72)46-34-20-7-21-35-46/h1-35,47-54,62-63H,36-39H2/t47-,48-,49-,50-,51+,52+,53-,54-,62-,63+/m1/s1
InChIKey:RUHJSDOJTPTXHZ-NGGVEJFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.104
Molecular Formula:C2H3F3O3S
SMILES:COS(=O)(=O)C(F)(F)F
InChI:1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
InChIKey:OIRDBPQYVWXNSJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:49.0072
Molecular Formula:CNNa
SMILES:[Na+].[C-]#N
InChI:1S/CN.Na/c1-2;/q-1;+1
InChIKey:MNWBNISUBARLIT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:58.0791
Molecular Formula:C3H6O
SMILES:CC(C)=O
InChI:1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:795.087
Molecular Formula:C53H54N4OS
SMILES:CCSc1ccc([nH]1)C(c1ccc([nH]1)C(c1ccc([nH]1)C(c1ccc([nH]1)C(=O)c1ccc(CC)cc1)c1ccc(cc1)C(C)(C)C)c1ccc(C)cc1)c1ccccc1
InChI:1S/C53H54N4OS/c1-7-35-16-20-39(21-17-35)52(58)47-31-30-45(56-47)51(38-22-24-40(25-23-38)53(4,5)6)44-29-28-43(55-44)50(37-18-14-34(3)15-19-37)42-27-26-41(54-42)49(36-12-10-9-11-13-36)46-32-33-48(57-46)59-8-2/h9-33,49-51,54-57H,7-8H2,1-6H3
InChIKey:TUHPUVVZJMUGDV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:817.33
Molecular Formula:C51H42N4Pd
SMILES:CCc1ccc(cc1)C1=c2\cc\c3=C(\C4=N\C(\C=C4)=C(/c4ccc(\C(=C5\C=CC\1=N5)c1ccccc1)n4[Pd]n23)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C
InChI:1S/C51H42N4.Pd/c1-6-33-14-18-36(19-15-33)49-43-27-25-40(53-43)47(34-10-8-7-9-11-34)39-24-26-41(52-39)48(35-16-12-32(2)13-17-35)42-28-30-45(54-42)50(46-31-29-44(49)55-46)37-20-22-38(23-21-37)51(3,4)5;/h7-31H,6H2,1-5H3;/q-2;+2/b47-39-,47-40-,48-41-,48-42-,49-43-,49-44-,50-45-,50-46-;
InChIKey:YFKVNPQJTGABGB-BZEPWWCJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:56.1056
Molecular Formula:HKO
SMILES:[K+].[O-][H]
InChI:1S/K.H2O/h;1H2/q+1;/p-1
InChIKey:KWYUFKZDYYNOTN-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:46.0684
Molecular Formula:C2H6O
SMILES:CCO
InChI:1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.193
Molecular Formula:C6H8S
SMILES:CCC1=CC=CS1
InChI:1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey:JCCCMAAJYSNBPR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.035
Molecular Formula:C7H7I
SMILES:[H]C1=C(C)C=C(I)C=C1
InChI:1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey:VLCPISYURGTGLP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:202.315
Molecular Formula:C13H14S
SMILES:CCc1ccc(s1)-c1cccc(C)c1
InChI:1S/C13H14S/c1-3-12-7-8-13(14-12)11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3
InChIKey:CBUCGGNUMDGIPA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:500.55
Molecular Formula:C12H14Br2N2OPdS
SMILES:Br[Pd]Br.CS(C)=O.c1ccc(nc1)-c1ccccn1
InChI:1S/C10H8N2.C2H6OS.2BrH.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4(2)3;;;/h1-8H;1-2H3;2*1H;/q;;;;+2/p-2
InChIKey:DWPKTDNWLVWWJL-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:275.7453
Molecular Formula:CAg2O3
SMILES:[Ag+].[Ag+].[O-]C([O-])=O
InChI:1S/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey:KQTXIZHBFFWWFW-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:80.501
Molecular Formula:B3H6N3
SMILES:[BH-]1=[NH+][BH-]=[NH+][BH-]=[NH+]1
InChI:1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H
InChIKey:BGECDVWSWDRFSP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:28.0532
Molecular Formula:C2H4
SMILES:[H]C([H])=C([H])[H]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.538
Molecular Formula:C2H8B3N3
SMILES:C=C[B-]1=[NH+][BH-]=[NH+][BH-]=[NH+]1
InChI:1S/C2H8B3N3/c1-2-5-7-3-6-4-8-5/h2-4,6-8H,1H2
InChIKey:NZGGGKSDBGZUSS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.554
Molecular Formula:C2H10B3N3
SMILES:CC[B-]1=[NH+][BH-]=[NH+][BH-]=[NH+]1
InChI:1S/C2H10B3N3/c1-2-5-7-3-6-4-8-5/h3-4,6-8H,2H2,1H3
InChIKey:KPVDJNDHHCYPLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.0457
Molecular Formula:C8H7I
SMILES:[H]\C(I)=C(\[H])C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:194.2319
Molecular Formula:C13H10N2
SMILES:C1=C2C=CC=CN2N=C1C1=CC=CC=C1
InChI:1S/C13H10N2/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13/h1-10H
InChIKey:HFOAXDYGZAQNTI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:352.3634
Molecular Formula:C21H21O3P
SMILES:COC1=CC=C(C=C1)P(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1
InChI:1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
InChIKey:UYUUAUOYLFIRJG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.9816
Molecular Formula:C7H5AgO2
SMILES:[Ag+].[O-]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O2.Ag/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey:CLDWGXZGFUNWKB-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:187.034
Molecular Formula:C7H7BrO
SMILES:COC1=CC=C(Br)C=C1
InChI:1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey:QJPJQTDYNZXKQF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:344.6586
Molecular Formula:C12H24O4Si4
SMILES:C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)[CH:2]=[CH2:5]
InChI:1S/C12H24O4Si4/c1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17/h9-12H,1-4H2,5-8H3
InChIKey:VMAWODUEPLAHOE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.1751
Molecular Formula:C9H10O
SMILES:COC1=CC=C(C=C)C=C1
InChI:1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
InChIKey:UAJRSHJHFRVGMG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:298.4021
Molecular Formula:C20H27P
SMILES:CC(C)(C)P(C1=C(C=CC=C1)C1=CC=CC=C1)C(C)(C)C
InChI:1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKey:CNXMDTWQWLGCPE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:191.109
Molecular Formula:C8H15Br
SMILES:BrCCC1CCCCC1
InChI:1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey:JRQAAYVLPPGEHT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.2912
Molecular Formula:C9H14O3Si
SMILES:CO[Si](OC)(OC)C1=CC=CC=C1
InChI:1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey:ZNOCGWVLWPVKAO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:188.3086
Molecular Formula:C14H20
SMILES:C(CC1=CC=CC=C1)C1CCCCC1
InChI:1S/C14H20/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey:HYYFAYFMSHAWFA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2368
Molecular Formula:C9H21P
SMILES:CP(C(C)(C)C)C(C)(C)C
InChI:1S/C9H21P/c1-8(2,3)10(7)9(4,5)6/h1-7H3
InChIKey:JURBTQKVGNFPRJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1118
Molecular Formula:C7H5FO2
SMILES:OC(=O)C1=C(F)C=CC=C1
InChI:1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey:NSTREUWFTAOOKS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:171.034
Molecular Formula:C7H7Br
SMILES:CC1=CC=C(Br)C=C1
InChI:1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey:ZBTMRBYMKUEVEU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:186.2248
Molecular Formula:C13H11F
SMILES:CC1=CC=C(C=C1)C1=C(F)C=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:143.45
Molecular Formula:BrCu
SMILES:[Cu+].[Br-]
InChI:1S/BrH.Cu/h1H;/q;+1/p-1
InChIKey:NKNDPYCGAZPOFS-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2053
Molecular Formula:C12H8N2
SMILES:C1=CC2=CC=C3C=CC=NC3=C2N=C1
InChI:1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKey:DGEZNRSVGBDHLK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2055
Molecular Formula:CK2O3
SMILES:[K+].[K+].[O-]C([O-])=O
InChI:1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey:BWHMMNNQKKPAPP-UHFFFAOYSA-L
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Compound Information
Drug synonym:benzo[b]pyridine, leucoline
Molecular Weight:129.1586
Molecular Formula:C9H7N
SMILES:C1=CC=C2N=CC=CC2=C1
InChI:1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKey:SMWDFEZZVXVKRB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:265.2634
Molecular Formula:C16H11NO3
SMILES:OC(=O)c1cn(-c2ccccc2)c2ccccc2c1=O
InChI:1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)17(10-13(15)16(19)20)11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKey:BYNVLDXHYDAWPS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:157.008
Molecular Formula:C6H5Br
SMILES:BrC1=CC=CC=C1
InChI:1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:QARVLSVVCXYDNA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:297.3499
Molecular Formula:C21H15NO
SMILES:O=c1c(cn(-c2ccccc2)c2ccccc12)-c1ccccc1
InChI:1S/C21H15NO/c23-21-18-13-7-8-14-20(18)22(17-11-5-2-6-12-17)15-19(21)16-9-3-1-4-10-16/h1-15H
InChIKey:MKDOYLJWCXDYPX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:538.5544
Molecular Formula:C36H28OP2
SMILES:O(C1=C(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKey:RYXZOQOZERSHHQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1852
Molecular Formula:C10H10O2
SMILES:CC(=C)OC(=O)C1=CC=CC=C1
InChI:1S/C10H10O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKey:QVQPFHVJHZPVDM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2451
Molecular Formula:C14H12
SMILES:C(=C/C1=CC=CC=C1)\C1=CC=CC=C1
InChI:1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKey:PJANXHGTPQOBST-VAWYXSNFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2451
Molecular Formula:C14H12
SMILES:C=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey:ZMYIIHDQURVDRB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:310.314
Molecular Formula:C14H32BrNO
SMILES:[Br-].CCCC[N+](CCO)(CCCC)CCCC
InChI:1S/C14H32NO.BrH/c1-4-7-10-15(13-14-16,11-8-5-2)12-9-6-3;/h16H,4-14H2,1-3H3;1H/q+1;/p-1
InChIKey:DOZCQOXWNBGYHT-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.1323
Molecular Formula:C5H10O
SMILES:[H]C(=O)CC(C)C
InChI:1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChIKey:YGHRJJRRZDOVPD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:73.0938
Molecular Formula:C3H7NO
SMILES:CNC(C)=O
InChI:1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKey:OHLUUHNLEMFGTQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:187.2362
Molecular Formula:C9H17NO3
SMILES:CC(C)CC(N(C)C(C)=O)C(O)=O
InChI:1S/C9H17NO3/c1-6(2)5-8(9(12)13)10(4)7(3)11/h6,8H,5H2,1-4H3,(H,12,13)
InChIKey:PMLGUHPWWFBELQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.078
Molecular Formula:H2O4S
SMILES:OS(O)(=O)=O
InChI:1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey:QAOWNCQODCNURD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.609
Molecular Formula:C8H9ClO
SMILES:COC1=CC=CC(CCl)=C1
InChI:1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey:VGISFWWEOGVMED-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:165.1891
Molecular Formula:C9H11NO2
SMILES:COc1cccc(CC(N)=O)c1
InChI:1S/C9H11NO2/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey:HPKKEDGOBIXMHS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:17.0305
Molecular Formula:H3N
SMILES:[H]N[H]
InChI:1S/H3N/h1H3
InChIKey:QGZKDVFQNNGYKY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:CCCCOC=C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.2649
Molecular Formula:C13H16O2
SMILES:CCCCO\C=C\C(=O)c1ccccc1
InChI:1S/C13H16O2/c1-2-3-10-15-11-9-13(14)12-7-5-4-6-8-12/h4-9,11H,2-3,10H2,1H3/b11-9+
InChIKey:WEQLASJDQUKUPB-PKNBQFBNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:369.48
Molecular Formula:C23H32NOP
SMILES:COc1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1
InChI:1S/C23H32NOP/c1-25-22-16-9-8-15-21(22)24-18-10-17-23(24)26(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15-20H,2-7,11-14H2,1H3
InChIKey:JUZAKZRALSJLOV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:101.19
Molecular Formula:C6H15N
SMILES:CCN(CC)CC
InChI:1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
InChIKey:ZMANZCXQSJIPKH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.029
Molecular Formula:C8H5Br
SMILES:Br[C:2]#[C:1][C:3]1=[CH:4][CH:5]=[CH:6][CH:7]=[CH:8]1
InChI:1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
InChIKey:BPVHWNVBBDHIQU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.0084
Molecular Formula:C6H5I
SMILES:IC1=CC=CC=C1
InChI:1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:SNHMUERNLJLMHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.1219
Molecular Formula:C7H6O
SMILES:[H]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:127.91241
Molecular Formula:HI
SMILES:I[H]
InChI:1S/HI/h1H
InChIKey:XMBWDFGMSWQBCA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:79.0999
Molecular Formula:C5H5N
SMILES:C1=CC=NC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:123.1094
Molecular Formula:C6H5NO2
SMILES:[O-][N+](=O)C1=CC=CC=C1
InChI:1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey:LQNUZADURLCDLV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:119.1638
Molecular Formula:C8H9N
SMILES:C1CC2=CC=CC=C2N1
InChI:1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKey:LPAGFVYQRIESJQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:93.1265
Molecular Formula:C6H7N
SMILES:[H]C1=C([H])C([H])=C(N)C=C1
InChI:1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey:PAYRUJLWNCNPSJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:N1C=CC2=CC=CC=C12
InChI:1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey:SIKJAQJRHWYJAI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.2233
Molecular Formula:C9H16
SMILES:CCCCCCC=C=C
InChI:1S/C9H16/c1-3-5-7-9-8-6-4-2/h5H,1,4,6-9H2,2H3
InChIKey:BBECVROIQDCRKP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:99.2065
Molecular Formula:C4H9NSi
SMILES:C[Si](C)(C)C#N
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.4298
Molecular Formula:C13H25NSi
SMILES:CCCCCC\C=C(/CC#N)[Si](C)(C)C
InChI:1S/C13H25NSi/c1-5-6-7-8-9-10-13(11-12-14)15(2,3)4/h10H,5-9,11H2,1-4H3/b13-10+
InChIKey:NFABGUHHKAWBQX-JLHYYAGUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:201.3397
Molecular Formula:C12H15NSi
SMILES:C[Si](C)(C)\C=C(/C#N)c1ccccc1
InChI:1S/C12H15NSi/c1-14(2,3)10-12(9-13)11-7-5-4-6-8-11/h4-8,10H,1-3H3/b12-10+
InChIKey:AVOFXUGDBQVORW-ZRDIBKRKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.2955
Molecular Formula:C13H20O4
SMILES:CCOC(=O)C(CC=C)(CC=C)C(=O)OCC
InChI:1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3
InChIKey:LYUUVYQGUMRKOV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.2955
Molecular Formula:C13H20O4
SMILES:CCOC(=O)C1(CC(C)=C(C)C1)C(=O)OCC
InChI:1S/C13H20O4/c1-5-16-11(14)13(12(15)17-6-2)7-9(3)10(4)8-13/h5-8H2,1-4H3
InChIKey:FYOKZZNUNQUQRW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.2955
Molecular Formula:C13H20O4
SMILES:CCOC(=O)C1(CC(C)C(C)=C1)C(=O)OCC
InChI:1S/C13H20O4/c1-5-16-11(14)13(12(15)17-6-2)7-9(3)10(4)8-13/h7,10H,5-6,8H2,1-4H3
InChIKey:GDMGPKAQDZNICC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.1823
Molecular Formula:C8H15F6N2P
SMILES:F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:75.1097
Molecular Formula:C3H9NO
SMILES:CNCCO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:54.0904
Molecular Formula:C4H6
SMILES:C=CC=C
InChI:1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKey:KAKZBPTYRLMSJV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:183.2905
Molecular Formula:C11H21NO
SMILES:CN(CCO)C(CCCC=C)C=C
InChI:1S/C11H21NO/c1-4-6-7-8-11(5-2)12(3)9-10-13/h4-5,11,13H,1-2,6-10H2,3H3
InChIKey:BSCKBBZDSLADQC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.3064
Molecular Formula:C11H23NO
SMILES:CCCCC\C=C\CN(C)CCO
InChI:1S/C11H23NO/c1-3-4-5-6-7-8-9-12(2)10-11-13/h7-8,13H,3-6,9-11H2,1-2H3/b8-7+
InChIKey:NZJRCCUEDKIBQL-BQYQJAHWSA-N
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