Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KNH8R5Z674
EPA CompTox DTXSID50185891

Structure

InChI Key JIXDOBAQOWOUPA-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1OC
InChI
InChI=1/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7FO
Molecular Weight 126.05
AlogP 1.83
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 321-28-8
NORMAN SUSDAT
FDA SRS KNH8R5Z674
PubChem 67576