General Information of the Compound
| Compound ID |
CP0086086
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| Compound Name |
Benzoic acid
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| Synonyms |
3230-EP2316457A1
3230-EP2316825A1
3230-EP2372017A1
3230-EP2374454A1
4-Carboxybenzenide
766-76-7
AC1L18SS
AC1Q1HDY
AC1Q22CA
BDBM36181
Benzene formic acid
Benzenecarboxylate
Benzeneformate
Benzenemethanoate
Benzoic Acid
Benzoic acid, ion(1-)
CHEBI:16150
CJ-00025
CTK2H9612
DTXSID4043771
GTPL4565
LS-190261
NCGC00247905-01
Oracyclic acid
Phenyl carboxylic acid
Phenylcarboxylate
Phenylformate
Retarded BA
STL483236
Tennplas
WPYMKLBDIGXBTP-UHFFFAOYSA-M
ZB000218
ZINC328578076
benzoate anion
benzoic acid anion
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| Structure |
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| Formula |
C7H6O2
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| Molecular Weight |
122.123
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| Canonical SMILES |
OC(=O)c1ccccc1
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| InChI |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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| InChIKey |
WPYMKLBDIGXBTP-UHFFFAOYSA-N
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| CAS |
65-85-0
8013-63-6
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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