General Information of the Compound
| Compound ID |
CP0504731
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| Compound Name |
4-(2-Nitro-propenyl)-benzene-1,2-diol
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| Structure |
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| Formula |
C9H9NO4
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| Molecular Weight |
195.174
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| Canonical SMILES |
C\C(=C/c1ccc(O)c(O)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C9H9NO4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5,11-12H,1H3/b6-4+
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| InChIKey |
CBBBJLQAIWVLBM-GQCTYLIASA-N
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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