Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00186636

Structure

InChI Key AODSTUBSNYVSSL-UHFFFAOYSA-N
Smiles FC1=CC=C(OC=2C=CC=CC2)C=C1
InChI
InChI=1/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9FO
Molecular Weight 188.06
AlogP 3.62
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 330-84-7
NORMAN SUSDAT
PubChem 67614