General Information of the Compound
| Compound ID |
CP0014109
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| Compound Name |
benzo[7]annulene-8-carboxylic acid, 5
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| Structure |
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| Formula |
C12H8O6
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| Molecular Weight |
248.19
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| Canonical SMILES |
OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
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| InChI |
InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)
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| InChIKey |
XCSLJQFPTAZKDV-UHFFFAOYSA-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