Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80234245

Structure

InChI Key ZJTYHSBOZAQQGF-UHFFFAOYSA-N
Smiles O=C(C=1C=CC=CC1)C2=CC=C(F)C(F)=C2
InChI
InChI=1/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H8F2O
Molecular Weight 218.05
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 85118-07-6
NORMAN SUSDAT
PubChem 569908