Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90239923

Structure

InChI Key ZDRODIGYILKBLQ-UHFFFAOYSA-N
Smiles FC(=O)OCc1ccccc1
InChI
InChI=1S/C8H7FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7F1O2
Molecular Weight 154.04
AlogP 2.29
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 93942-41-7
NORMAN SUSDAT
PubChem 3023023
ChemSpider 2289348.0