Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K2CG7GUS9W
EPA CompTox DTXSID20188596

Structure

InChI Key SOQCZBSZZLWDGU-UHFFFAOYSA-N
Smiles O=CC1=CC=C(OC)C(F)=C1
InChI
InChI=1/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7FO2
Molecular Weight 154.04
AlogP 1.65
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 351-54-2
NORMAN SUSDAT
FDA SRS K2CG7GUS9W
PubChem 67696