BENZYL BENZOATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P03AX01
UNII: N863NB338G

Structure
InChI Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Smile O=C(OCc1ccccc1)c1ccccc1
InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O2
Molecular Weight 212.25
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1100 - - 66
Enzyme Oxidoreductase
- - - - 41
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 125

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 120-51-4
ChEBI 41237
ChEMBL CHEMBL1239
DrugBank DB00676
DrugCentral 335
EPA CompTox DTXSID8029153
FDA SRS N863NB338G
Human Metabolome Database HMDB0014814
KEGG C12537
PDB BZM
PharmGKB PA164748881
PubChem 2345
SureChEMBL SCHEMBL3038
ZINC ZINC000000001021
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