Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NQ5S46N6ZC
EPA CompTox DTXSID70192067

Structure

InChI Key PXFIPIAXFGAEMJ-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1C=2C=CC=CC2F
InChI
InChI=1/C12H8F2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/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 388-82-9
NORMAN SUSDAT
FDA SRS NQ5S46N6ZC
PubChem 123055