Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O0694GMK81
EPA CompTox DTXSID20192870

Structure

InChI Key PZDAAZQDQJGXSW-UHFFFAOYSA-N
Smiles FC=1C=CC(=CC1)C2=CC=C(F)C=C2
InChI
InChI=1/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8F2
Molecular Weight 190.06
AlogP 3.63
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 398-23-2
NORMAN SUSDAT
FDA SRS O0694GMK81
PubChem 9811