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Cobalt, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2−)-κN21,κN22,κN23,κN24]-

  1. Sanjay K. Singh1,
  2. Steven J. Collier2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01602

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Singh, S. K. and Collier, S. J. 2013. Cobalt, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2−)-κN21,κN22,κN23,κN24]-. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    AMRI, Singapore

  2. 2

    Codexis Laboratories Singapore Pte Ltd., Singapore

Publication History

  1. Published Online: 16 SEP 2013

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  1. 1 - 130
Compound Information
Drug synonym:Not Available
Molecular Weight:614.7358
Molecular Formula:C44H30N4
SMILES:N1C2=CC=C1\C(=C1\C=CC(=N1)\C(=C1/N\C(\C=C1)=C(/C1=N/C(/C=C1)=C2/C1=CC=CC=C1)C1=CC=CC=C1)\C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey:YNHJECZULSZAQK-LWQDQPMZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:671.6531
Molecular Formula:C44H28CoN4
SMILES:[Co]1N2C3=CC=C2\C(=C2\C=CC(=N2)\C(=C2\C=C/C(/N12)=C(/C1=N/C(/C=C1)=C3/C1=CC=CC=C1)C1=CC=CC=C1)\C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey:LSZLYWSRWXFMOI-DAJBKUBHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:129.839
Molecular Formula:Cl2Co
SMILES:Cl[Co]Cl
InChI:Not Available
InChIKey:Not Available
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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:trichloromethane
Molecular Weight:119.378
Molecular Formula:CHCl3
SMILES:ClC(Cl)Cl
InChI:1S/CHCl3/c2-1(3)4/h1H
InChIKey:HEDRZPFGACZZDS-UHFFFAOYSA-N
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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: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:Benzenemethanol, phenylmethanol
Molecular Weight:108.1378
Molecular Formula:C7H8O
SMILES:OCC1=CC=CC=C1
InChI:1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey:WVDDGKGOMKODPV-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzenecarboxylic acid
Molecular Weight:122.1213
Molecular Formula:C7H6O2
SMILES:OC(=O)C1=CC=CC=C1
InChI:1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey:WPYMKLBDIGXBTP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.1595
Molecular Formula:C6H12
SMILES:C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:OC1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:O=C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1436
Molecular Formula:C6H10
SMILES:C1CCC=CC1
InChI:1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChIKey:HGCIXCUEYOPUTN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:C1CCC2OC2C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:CC(C)C=O
InChI:1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey:AMIMRNSIRUDHCM-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:168.2328
Molecular Formula:C10H16O2
SMILES:CCC\C=C\C=C\C(=O)OCC
InChI:1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-9H,3-5H2,1-2H3/b7-6+,9-8+
InChIKey:VCJFBQACKACAPP-BLHCBFLLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:184.2322
Molecular Formula:C10H16O3
SMILES:CCCCC(=O)\C=C\C(=O)OCC
InChI:1S/C10H16O3/c1-3-5-6-9(11)7-8-10(12)13-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey:FKIPMHAKVUNNPS-BQYQJAHWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.2767
Molecular Formula:C6H16Si
SMILES:CC[SiH](CC)CC
InChI:1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKey:AQRLNPVMDITEJU-UHFFFAOYSA-N
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Compound Information
Drug synonym:isopropyl alcohol
Molecular Weight:60.095
Molecular Formula:C3H8O
SMILES:CC(C)O
InChI:1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey:KFZMGEQAYNKOFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.0886
Molecular Formula:C4H6O3
SMILES:CC(=O)OC(C)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1677
Molecular Formula:C7H10N2
SMILES:CN(C)C1=CC=NC=C1
InChI:1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
InChIKey:VHYFNPMBLIVWCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2069
Molecular Formula:C9H14O
SMILES:[CH3:9][C:4]1=[CH:5][C:6](=[O:7])[CH2:1][C:2]([CH3:8])([CH3:10])[CH2:3]1
InChI:1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey:HJOVHMDZYOCNQW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.1904
Molecular Formula:C9H12O2
SMILES:CC1=CC(=O)CC(C)(C)C1=O
InChI:1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey:AYJXHIDNNLJQDT-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: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: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:Not Available
Molecular Weight:80.1277
Molecular Formula:C6H8
SMILES:C1CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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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:198.2158
Molecular Formula:C10H14O4
SMILES:CC(=O)O[C@@H]1CC[C@@H](OC(C)=O)C=C1
InChI:1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10-/m0/s1
InChIKey:VDGAZJWPUNUMLR-UWVGGRQHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.2158
Molecular Formula:C10H14O4
SMILES:CC(=O)O[C@@H]1CC[C@H](OC(C)=O)C=C1
InChI:1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10+
InChIKey:VDGAZJWPUNUMLR-AOOOYVTPSA-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: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:Not Available
Molecular Weight:86.1754
Molecular Formula:C6H14
SMILES:CCCCCC
InChI:1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey:VLKZOEOYAKHREP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:CCOC(C)=O
InChI:1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey:XEKOWRVHYACXOJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:94.1543
Molecular Formula:C7H10
SMILES:[H]C1=C([H])C([H])=C([H])CCC1
InChI:1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChIKey:GWYPDXLJACEENP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2423
Molecular Formula:C11H16O4
SMILES:CC(=O)O[C@@H]1CCC[C@H](OC(C)=O)C=C1
InChI:1S/C11H16O4/c1-8(12)14-10-4-3-5-11(7-6-10)15-9(2)13/h6-7,10-11H,3-5H2,1-2H3/t10-,11+
InChIKey:UADLQVRRAURCBG-PHIMTYICSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2423
Molecular Formula:C11H16O4
SMILES:CC(=O)O[C@@H]1CCC[C@@H](OC(C)=O)C=C1
InChI:1S/C11H16O4/c1-8(12)14-10-4-3-5-11(7-6-10)15-9(2)13/h6-7,10-11H,3-5H2,1-2H3/t10-,11-/m1/s1
InChIKey:UADLQVRRAURCBG-GHMZBOCLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.0948
Molecular Formula:C6H4O2
SMILES:O=C1C=CC(=O)C=C1
InChI:1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey:AZQWKYJCGOJGHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.1699
Molecular Formula:C10H8O
SMILES:OC1=CC=CC2=CC=CC=C12
InChI:1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey:KJCVRFUGPWSIIH-UHFFFAOYSA-N
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Compound Information
Drug synonym:2‐hydroxy‐1,4‐naphthoquinone, Lawsone
Molecular Weight:174.1528
Molecular Formula:C10H6O3
SMILES:OC1=CC(=O)C2=CC=CC=C2C1=O
InChI:1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
InChIKey:CSFWPUWCSPOLJW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:34.0147
Molecular Formula:H2O2
SMILES:[H]OO[H]
InChI:1S/H2O2/c1-2/h1-2H
InChIKey:MHAJPDPJQMAIIY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:39.9971
Molecular Formula:HNaO
SMILES:[Na+].[O-][H]
InChI:1S/Na.H2O/h;1H2/q+1;/p-1
InChIKey:HEMHJVSKTPXQMS-UHFFFAOYSA-M
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Compound Information
Drug synonym:2‐hydroxynaphthalene, 2‐naphthalenol, Î²â€naphthol, Î²â€“naphthol
Molecular Weight:144.1699
Molecular Formula:C10H8O
SMILES:OC1=CC=C2C=CC=CC2=C1
InChI:1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKey:JWAZRIHNYRIHIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2292
Molecular Formula:C14H10
SMILES:C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChIKey:MWPLVEDNUUSJAV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.2121
Molecular Formula:C14H8O2
SMILES:O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2
InChI:1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey:RZVHIXYEVGDQDX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:740.087
Molecular Formula:Not Available
SMILES:*O[I](O[I](O[I](OS(*)(=O)=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:274.3117
Molecular Formula:C16H18O4
SMILES:COC1=CC=C(C=C1)C(O)C(O)C1=CC=C(OC)C=C1
InChI:1S/C16H18O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-18H,1-2H3
InChIKey:RKRWHUXXTPLPAL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.1479
Molecular Formula:C8H8O2
SMILES:[H]C(=O)C1=CC=C(OC)C=C1
InChI:1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey:ZRSNZINYAWTAHE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:272.2958
Molecular Formula:C16H16O4
SMILES:[H]C1=C(C=CC(OC)=C1)C(O)C(=O)C1=C([H])C=C(OC)C=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:214.2631
Molecular Formula:C13H14N2O
SMILES:NC(=O)C1=CN(CC2=CC=CC=C2)C=CC1
InChI:1S/C13H14N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H2,14,16)
InChIKey:CMNUYDSETOTBDE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.256
Molecular Formula:C12H8OS
SMILES:O=S1C2=C(C=CC=C2)C2=C1C=CC=C2
InChI:1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey:NGDPCAMPVQYGCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:dibenzothiophene
Molecular Weight:184.257
Molecular Formula:C12H8S
SMILES:S1C2=C(C=CC=C2)C2=C1C=CC=C2
InChI:1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey:IYYZUPMFVPLQIF-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:149.1467
Molecular Formula:C8H7NO2
SMILES:[O-][N+](=O)C1=CC=C(C=C)C=C1
InChI:1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InChIKey:YFZHODLXYNDBSM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.1607
Molecular Formula:C8H8N2O3
SMILES:C\C(=N/O)C1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C8H8N2O3/c1-6(9-11)7-2-4-8(5-3-7)10(12)13/h2-5,11H,1H3/b9-6+
InChIKey:GFNBZVFYQPTWRK-RMKNXTFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:165.1461
Molecular Formula:C8H7NO3
SMILES:CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKey:YQYGPGKTNQNXMH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:103.1198
Molecular Formula:C4H9NO2
SMILES:CC(C)(C)ON=O
InChI:1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3
InChIKey:IOGXOCVLYRDXLW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1852
Molecular Formula:C10H10O2
SMILES:COC(=O)C1=CC=C(C=C)C=C1
InChI:1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKey:NUMHUJZXKZKUBN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:193.1992
Molecular Formula:C10H11NO3
SMILES:COC(=O)c1ccc(cc1)C(\C)=N\O
InChI:1S/C10H11NO3/c1-7(11-13)8-3-5-9(6-4-8)10(12)14-2/h3-6,13H,1-2H3/b11-7+
InChIKey:OKULDYWFOINMTE-YRNVUSSQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.1846
Molecular Formula:C10H10O3
SMILES:COC(=O)C1=CC=C(C=C1)C(C)=O
InChI:1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3
InChIKey:QNTSFZXGLAHYLC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.594
Molecular Formula:C8H7Cl
SMILES:ClC1=CC=C(C=C)C=C1
InChI:1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey:KTZVZZJJVJQZHV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:169.608
Molecular Formula:C8H8ClNO
SMILES:[CH3:2]\[C:1](=[N:9]\[OH:10])[C:3]1=[CH:8][CH:7]=[C:6]([Cl:11])[CH:5]=[CH:4]1
InChI:1S/C8H8ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,1H3/b10-6-
InChIKey:KAXTWDXRCMICEQ-POHAHGRESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.594
Molecular Formula:C8H7ClO
SMILES:CC(=O)C1=CC=C(Cl)C=C1
InChI:1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey:BUZYGTVTZYSBCU-UHFFFAOYSA-N
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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:135.1632
Molecular Formula:C8H9NO
SMILES:C\C(=N/O)C1=CC=CC=C1
InChI:1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
InChIKey:JHNRZXQVBKRYKN-VQHVLOKHSA-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:118.1757
Molecular Formula:C9H10
SMILES:CC1=CC=C(C=C)C=C1
InChI:1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChIKey:JLBJTVDPSNHSKJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:149.1897
Molecular Formula:C9H11NO
SMILES:C\C(=N/O)C1=CC=C(C)C=C1
InChI:1S/C9H11NO/c1-7-3-5-9(6-4-7)8(2)10-11/h3-6,11H,1-2H3/b10-8+
InChIKey:XAAUYUMBCPRWED-CSKARUKUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.1751
Molecular Formula:C9H10O
SMILES:CC(=O)C1=CC=C(C)C=C1
InChI:1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
InChIKey:GNKZMNRKLCTJAY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.2063
Molecular Formula:C9H14O2
SMILES:C=CC(=O)OC1CCCCC1
InChI:1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKey:KBLWLMPSVYBVDK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.2203
Molecular Formula:C9H15NO3
SMILES:C\C(=N\O)C(=O)OC1CCCCC1
InChI:1S/C9H15NO3/c1-7(10-12)9(11)13-8-5-3-2-4-6-8/h8,12H,2-6H2,1H3/b10-7-
InChIKey:BFTLULGDLBCOIB-YFHOEESVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1956
Molecular Formula:C8H14O2
SMILES:CCCCOC(=O)\C=C\C
InChI:1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChIKey:GWCTUKHUBWMAMI-GQCTYLIASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:173.2096
Molecular Formula:C8H15NO3
SMILES:CCCCOC(=O)C(\CC)=N/O
InChI:1S/C8H15NO3/c1-3-5-6-12-8(10)7(4-2)9-11/h11H,3-6H2,1-2H3/b9-7-
InChIKey:NVOQPUWHJBRFKO-CLFYSBASSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.2227
Molecular Formula:C9H16O
SMILES:CCCCC\C=C\C(C)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:171.2368
Molecular Formula:C9H17NO2
SMILES:CCCCCC\C(=N\O)C(C)=O
InChI:1S/C9H17NO2/c1-3-4-5-6-7-9(10-12)8(2)11/h12H,3-7H2,1-2H3/b10-9-
InChIKey:DCVKYISODMBDSI-KTKRTIGZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:CCC\C=C\C=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:129.157
Molecular Formula:C6H11NO2
SMILES:CCCC\C(C=O)=N\O
InChI:1S/C6H11NO2/c1-2-3-4-6(5-8)7-9/h5,9H,2-4H2,1H3/b7-6-
InChIKey:GSQUWYUOUSOTQH-SREVYHEPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.2493
Molecular Formula:C10H18O
SMILES:CCCCCCC\C=C\C=O
InChI:1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
InChIKey:MMFCJPPRCYDLLZ-CMDGGOBGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.2634
Molecular Formula:C10H19NO2
SMILES:CCCCCCCC\C(C=O)=N\O
InChI:1S/C10H19NO2/c1-2-3-4-5-6-7-8-10(9-12)11-13/h9,13H,2-8H2,1H3/b11-10-
InChIKey:IGGQVXCZCLURRD-KHPPLWFESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.3927
Molecular Formula:C19H24O2
SMILES:C[C@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CCC2=O
InChI:1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,14-16H,5-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
InChIKey:YEWSFUFGMDJFFG-WFZCBACDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:315.4067
Molecular Formula:C19H25NO3
SMILES:C[C@]12CCC3C(C\C(=N/O)C4=CC(=O)CC[C@]34C)C1CCC2=O
InChI:1S/C19H25NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,23H,3-8,10H2,1-2H3/b20-16+/t12?,13?,14?,18-,19+/m1/s1
InChIKey:ALPVAQARJWKHPM-WIOLPFNZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:282.3768
Molecular Formula:C19H22O2
SMILES:C[C@]12CCC3C(C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
InChI:1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
InChIKey:DKVSUQWCZQBWCP-WFZCBACDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:313.3908
Molecular Formula:C19H23NO3
SMILES:C[C@]12CCC3C(C\C(=N/O)C4=CC(=O)C=C[C@]34C)C1CCC2=O
InChI:1S/C19H23NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h5,7,9,12-14,23H,3-4,6,8,10H2,1-2H3/b20-16+/t12?,13?,14?,18-,19+/m1/s1
InChIKey:RJNIREGRIOZKSX-WIOLPFNZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:199.2469
Molecular Formula:C10H17NO3
SMILES:CCCC\C(\C=C\C(=O)OCC)=N\O
InChI:1S/C10H17NO3/c1-3-5-6-9(11-13)7-8-10(12)14-4-2/h7-8,13H,3-6H2,1-2H3/b8-7+,11-9-
InChIKey:QFGXCHPKJMHBAN-OHFYBLQUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.2756
Molecular Formula:C14H16O2
SMILES:CCC\C=C\C=C\C(=O)Oc1ccccc1
InChI:1S/C14H16O2/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h4-12H,2-3H2,1H3/b5-4+,12-9+
InChIKey:FZWWRLGSAKEQQI-OWZSENBOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:247.2897
Molecular Formula:C14H17NO3
SMILES:CCCC\C(\C=C\C(=O)Oc1ccccc1)=N\O
InChI:1S/C14H17NO3/c1-2-3-7-12(15-17)10-11-14(16)18-13-8-5-4-6-9-13/h4-6,8-11,17H,2-3,7H2,1H3/b11-10+,15-12-
InChIKey:FENMWWVCBUMKOI-JWIYKGGMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.3288
Molecular Formula:C16H20O2
SMILES:CCC\C=C\C=C\C(=O)Oc1c(C)cccc1C
InChI:1S/C16H20O2/c1-4-5-6-7-8-12-15(17)18-16-13(2)10-9-11-14(16)3/h6-12H,4-5H2,1-3H3/b7-6+,12-8+
InChIKey:TUNCIMCBFXQXSJ-ZYUHXDNHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:275.3428
Molecular Formula:C16H21NO3
SMILES:CCCC\C(\C=C\C(=O)Oc1c(C)cccc1C)=N\O
InChI:1S/C16H21NO3/c1-4-5-9-14(17-19)10-11-15(18)20-16-12(2)7-6-8-13(16)3/h6-8,10-11,19H,4-5,9H2,1-3H3/b11-10+,17-14-
InChIKey:QQUPFMQUQZTWSU-UDUOVWRXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.3963
Molecular Formula:C21H21NO3
SMILES:CCC\C=C\C=C\C(=O)ON(C(=O)c1ccccc1)c1ccccc1
InChI:1S/C21H21NO3/c1-2-3-4-5-12-17-20(23)25-22(19-15-10-7-11-16-19)21(24)18-13-8-6-9-14-18/h4-17H,2-3H2,1H3/b5-4+,17-12+
InChIKey:NCMMCCKJJSTCGX-LIRSHIKOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:366.4104
Molecular Formula:C21H22N2O4
SMILES:CCCC\C(\C=C\C(=O)ON(C(=O)c1ccccc1)c1ccccc1)=N\O
InChI:1S/C21H22N2O4/c1-2-3-12-18(22-26)15-16-20(24)27-23(19-13-8-5-9-14-19)21(25)17-10-6-4-7-11-17/h4-11,13-16,26H,2-3,12H2,1H3/b16-15+,22-18-
InChIKey:IJGPZIXUGOYGLE-BDNXVVLJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:237.2518
Molecular Formula:C12H15NO4
SMILES:CCC\C=C\C=C\C(=O)ON1C(=O)CCC1=O
InChI:1S/C12H15NO4/c1-2-3-4-5-6-7-12(16)17-13-10(14)8-9-11(13)15/h4-7H,2-3,8-9H2,1H3/b5-4+,7-6+
InChIKey:VRQYWTUVYZDTNC-YTXTXJHMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:268.2658
Molecular Formula:C12H16N2O5
SMILES:CCCC\C(\C=C\C(=O)ON1C(=O)CCC1=O)=N\O
InChI:1S/C12H16N2O5/c1-2-3-4-9(13-18)5-8-12(17)19-14-10(15)6-7-11(14)16/h5,8,18H,2-4,6-7H2,1H3/b8-5+,13-9-
InChIKey:PQWRYUXKFWPXOQ-GKPGWJKISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:207.3119
Molecular Formula:C13H21NO
SMILES:CCC\C=C\C=C\C(=O)N1CCCCC1
InChI:1S/C13H21NO/c1-2-3-4-5-7-10-13(15)14-11-8-6-9-12-14/h4-5,7,10H,2-3,6,8-9,11-12H2,1H3/b5-4+,10-7+
InChIKey:OXAHIKPZMCZCEX-YIORLJKJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.326
Molecular Formula:C13H22N2O2
SMILES:CCCC\C(\C=C\C(=O)N1CCCCC1)=N\O
InChI:1S/C13H22N2O2/c1-2-3-7-12(14-17)8-9-13(16)15-10-5-4-6-11-15/h8-9,17H,2-7,10-11H2,1H3/b9-8+,14-12-
InChIKey:MXPQNQWZYPPJAG-BYKJOZEVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:C\C=C\C=C\C(=O)C(C)(C)C
InChI:1S/C10H16O/c1-5-6-7-8-9(11)10(2,3)4/h5-8H,1-4H3/b6-5+,8-7+
InChIKey:RPKNZSIKTLYYKD-BSWSSELBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:183.2475
Molecular Formula:C10H17NO2
SMILES:CC\C(\C=C\C(=O)C(C)(C)C)=N\O
InChI:1S/C10H17NO2/c1-5-8(11-13)6-7-9(12)10(2,3)4/h6-7,13H,5H2,1-4H3/b7-6+,11-8-
InChIKey:FXHNXIYFOXYTPB-VEQVDCDKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1271
Molecular Formula:C6H8O
SMILES:C\C=C\C=C\C=O
InChI:1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
InChIKey:BATOPAZDIZEVQF-MQQKCMAXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:127.1412
Molecular Formula:C6H9NO2
SMILES:CC\C(\C=C\C=O)=N\O
InChI:1S/C6H9NO2/c1-2-6(7-9)4-3-5-8/h3-5,9H,2H2,1H3/b4-3+,7-6-
InChIKey:XGZSXDRTYRGBRO-FDTUMDBZSA-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: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:164.1216
Molecular Formula:C6H4N4O2
SMILES:[O-][N+](=O)C1=CC=C(C=C1)N=[N+]=[N-]
InChI:1S/C6H4N4O2/c7-9-8-5-1-3-6(4-2-5)10(11)12/h1-4H
InChIKey:CZZVSJPFJBUBDK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.2185
Molecular Formula:C13H10
SMILES:C1C2=CC=CC=C2C2=C1C=CC=C2
InChI:1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChIKey:NIHNNTQXNPWCJQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:300.3108
Molecular Formula:C19H12N2O2
SMILES:[O-][N+](=O)c1ccc(cc1)N=C1c2ccccc2-c2ccccc12
InChI:1S/C19H12N2O2/c22-21(23)14-11-9-13(10-12-14)20-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12H
InChIKey:JGQXGMZVBXQSJY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2451
Molecular Formula:C14H12
SMILES:[CH2:7]1[C:4]2=[CH:3][CH:2]=[CH:1][CH:6]=[C:5]2[CH2:10][C:9]2=[C:8]1[CH:11]=[CH:12][CH:13]=[CH:14]2
InChI:1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
InChIKey:WPDAVTSOEQEGMS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:448.4296
Molecular Formula:C26H16N4O4
SMILES:[O-][N+](=O)c1ccc(cc1)N=C1c2ccccc2C(=Nc2ccc(cc2)[N+]([O-])=O)c2ccccc12
InChI:1S/C26H16N4O4/c31-29(32)19-13-9-17(10-14-19)27-25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)28-18-11-15-20(16-12-18)30(33)34/h1-16H/b27-25-,28-26+
InChIKey:PNYYZCPCURRELI-ZQZMJUSDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:119.1836
Molecular Formula:C9H12
SMILES:C[C-](C)C1=CC=CC=C1
InChI:1S/C9H11/c1-8(2)9-6-4-3-5-7-9/h3-7H,1-2H3/q-1
InChIKey:NCCMLVRJQAWFKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:256.2997
Molecular Formula:C15H16N2O2
SMILES:CC(C)(NC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChI:1S/C15H16N2O2/c1-15(2,12-6-4-3-5-7-12)16-13-8-10-14(11-9-13)17(18)19/h3-11,16H,1-2H3
InChIKey:KYZANBCMYXKVQA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.2182
Molecular Formula:C10H14
SMILES:CCC(C)C1=CC=CC=C1
InChI:1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey:ZJMWRROPUADPEA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:270.3263
Molecular Formula:C16H18N2O2
SMILES:CCC(C)(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
InChI:1S/C16H18N2O2/c1-3-16(2,13-7-5-4-6-8-13)17-14-9-11-15(12-10-14)18(19)20/h4-12,17H,3H2,1-2H3
InChIKey:LYBUXVREFNBQRB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.165
Molecular Formula:C8H10
SMILES:CCC1=CC=CC=C1
InChI:1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:242.2732
Molecular Formula:C14H14N2O2
SMILES:CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
InChI:1S/C14H14N2O2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14(10-8-13)16(17)18/h2-11,15H,1H3
InChIKey:QJEBNIICHOYJDH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.2573
Molecular Formula:C14H12N2O2
SMILES:C\C(=N/c1ccc(cc1)[N+]([O-])=O)c1ccccc1
InChI:1S/C14H12N2O2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14(10-8-13)16(17)18/h2-10H,1H3/b15-11+
InChIKey:NOFYGCNWOSJRBF-RVDMUPIBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.2344
Molecular Formula:C13H12
SMILES:C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey:CZZYITDELCSZES-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:304.3425
Molecular Formula:C19H16N2O2
SMILES:[O-][N+](=O)c1ccc(NC(c2ccccc2)c2ccccc2)cc1
InChI:1S/C19H16N2O2/c22-21(23)18-13-11-17(12-14-18)20-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19-20H
InChIKey:RCFJRHRJIZVTEP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:302.3267
Molecular Formula:C19H14N2O2
SMILES:[O-][N+](=O)c1ccc(cc1)N=C(c1ccccc1)c1ccccc1
InChI:1S/C19H14N2O2/c22-21(23)18-13-11-17(12-14-18)20-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKey:UBFYKRUAAWHJTG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:226.2307
Molecular Formula:C13H10N2O2
SMILES:[O-][N+](=O)C1=CC=C(C=C1)\N=C\C1=CC=CC=C1
InChI:1S/C13H10N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKey:NYJOAZXGKLCRSV-GXDHUFHOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:153.569
Molecular Formula:C6H4ClN3
SMILES:ClC1=CC=C(C=C1)N=[N+]=[N-]
InChI:1S/C6H4ClN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey:HZVGOEUGZJFTNN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:215.678
Molecular Formula:C13H10ClN
SMILES:[H]\C(=N/C1=CC=C(Cl)C=C1)C1=CC=CC=C1
InChI:1S/C13H10ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H/b15-10+
InChIKey:NWCAQYVAHZWHIO-XNTDXEJSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:149.15
Molecular Formula:C7H7N3O
SMILES:[H]C1=C(C=CC(OC)=C1)N=[N+]=[N-]
InChI:1S/C7H7N3O/c1-11-7-4-2-6(3-5-7)9-10-8/h2-5H,1H3
InChIKey:PPKDSHDYUBDVKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:211.2591
Molecular Formula:C14H13NO
SMILES:COC1=CC=C(C=C1)\N=C\C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.2023
Molecular Formula:C10H12
SMILES:C1CC11C=CC=CC11CC1
InChI:1S/C10H12/c1-2-4-10(7-8-10)9(3-1)5-6-9/h1-4H,5-8H2
InChIKey:KKKHINJUWJIDIH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2011
Molecular Formula:C10H12O2
SMILES:C1CC11[C@H]2OO[C@H](C=C2)C11CC1
InChI:1S/C10H12O2/c1-2-8-10(5-6-10)9(3-4-9)7(1)11-12-8/h1-2,7-8H,3-6H2/t7-,8+
InChIKey:VIMLGHZWCCDDGQ-OCAPTIKFSA-N
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Compound Information
Drug synonym:carbon tetrachloride, Carbona, pyrene
Molecular Weight:153.823
Molecular Formula:CCl4
SMILES:ClC(Cl)(Cl)Cl
InChI:1S/CCl4/c2-1(3,4)5
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2011
Molecular Formula:C10H12O2
SMILES:C1CC11C2OC2C2OC2C11CC1
InChI:1S/C10H12O2/c1-2-9(1)7-5(11-7)6-8(12-6)10(9)3-4-10/h5-8H,1-4H2
InChIKey:GMKWCKAQJHUARU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2011
Molecular Formula:C10H12O2
SMILES:O=C1CC2OC2C2(CC2)C11CC1
InChI:1S/C10H12O2/c11-7-5-6-8(12-6)10(3-4-10)9(7)1-2-9/h6,8H,1-5H2
InChIKey:IFYRNPQCRFNEBN-UHFFFAOYSA-N
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