Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DNQ5WQ6YZK
EPA CompTox DTXSID90196567

Structure

InChI Key MFJNOXOAIFNSBX-UHFFFAOYSA-N
Smiles FC1=CC=CC(OC)=C1
InChI
InChI=1/C7H7FO/c1-9-7-4-2-3-6(8)5-7/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 456-49-5
NORMAN SUSDAT
FDA SRS DNQ5WQ6YZK
PubChem 9975