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

Structure

InChI Key HLTBTUXAMVOKIH-UHFFFAOYSA-N
Smiles CC(=O)c1ccc(F)cc1O
InChI
InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7F1O2
Molecular Weight 154.04
AlogP 1.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1481-27-2
NORMAN SUSDAT