Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NPG6N28WZQ
EPA CompTox DTXSID4067727

Structure

InChI Key FZCDBGYCFVKRDV-UHFFFAOYSA-N
Smiles CC(=O)c1cccc(Oc2ccccc2)c1
InChI
InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O2
Molecular Weight 212.08
AlogP 3.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 32852-92-9
NORMAN SUSDAT
FDA SRS NPG6N28WZQ
PubChem 36249
ChemSpider 33333.0