General Information of the Compound
| Compound ID |
CP0455869
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| Compound Name |
(E)-4-(2-nitrovinyl)phenol
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| Synonyms |
(E)-4-(2-nitrovinyl)phenol
1-(4-hydroxyphenyl)-2-nitroethene
22568-49-6
3179-08-6
4'-hydroxy-beta-nitrostyrene
4-(2-(Hydroxy(oxido)amino)vinyl)phenol
4-(2-Nitro-vinyl)-phenol
4-(2-nitrovinyl)phenol
4-Hydroxy--nitrostyrene
4-Hydroxy-b-nitrostyrene
4-[(E)-2-Nitroethenyl]phenol
4-[(E)-2-nitrovinyl]phenol
4-hydroxy-beta-nitrostyrene
AC1LCWDH
CHEMBL307481
CTJKRKMPTRJAIT-AATRIKPKSA-N
NSC30299
NSC81594
Phenol, p-(2-nitrovinyl)-
Phenol,4-(2-nitroethenyl)-
trans-4-Hydroxy-beta-nitrostyrene
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| Structure |
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| Formula |
C8H7NO3
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| Molecular Weight |
165.148
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| Canonical SMILES |
Oc1ccc(\C=C\[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
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| InChIKey |
CTJKRKMPTRJAIT-AATRIKPKSA-N
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| CAS |
3179-08-6
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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