BENZOIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8SKN0B0MIM

Structure
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Smile O=C(O)c1ccccc1
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O2
Molecular Weight 122.12
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
Enzyme Oxidoreductase
- 2089-65700 2200-9000 2000-54000 13
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 13800-13804 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 30746
ChEMBL CHEMBL541
DrugBank DB03793
DrugCentral 4664
EPA CompTox DTXSID6020143
FDA SRS 8SKN0B0MIM
Human Metabolome Database HMDB0001870
KEGG C00180
PDB BEZ
PharmGKB PA448578
PubChem 243
SureChEMBL SCHEMBL1378
ZINC ZINC000000001011
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