General Information of the Compound
| Compound ID |
CP0423017
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| Compound Name |
4-(2-Nitro-vinyl)-benzene-1,2-diol
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| Synonyms |
1,2-Benzenediol, 4-(2-nitroethenyl)-, (E)-
1,2-Dihydroxy-4-(nitroethenyl)benzene
108074-44-8
4-(2-Nitro-vinyl)-benzene-1,2-diol
4-(2-nitrovinyl)benzene-1,2-diol
4-[(E)-2-nitroethenyl]benzene-1,2-diol
AC1O5R3K
AKOS010878666
BDBM50007069
CHEMBL78224
LLJASJHXECDHOM-ONEGZZNKSA-N
SCHEMBL2052283
SCHEMBL2052285
SL-1
SL-1 Pigment
beta-Nitro-3,4-dihydroxystyrene
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| Structure |
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| Formula |
C8H7NO4
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| Molecular Weight |
181.147
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| Canonical SMILES |
Oc1ccc(\C=C\[N+]([O-])=O)cc1O
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| InChI |
InChI=1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+
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| InChIKey |
LLJASJHXECDHOM-ONEGZZNKSA-N
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| CAS |
108074-44-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound