Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 40KCF8K7O2
EPA CompTox DTXSID10196600

Structure

InChI Key DXQVFHQUHOFROC-UHFFFAOYSA-N
Smiles Fc1ccc(Cc2ccc(F)cc2)cc1
InChI
InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10F2
Molecular Weight 204.08
AlogP 3.56
Number of Rotational Bond 2.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 457-68-1
NORMAN SUSDAT
FDA SRS 40KCF8K7O2
PubChem 96094
ChemSpider 86740.0