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

Structure

InChI Key KYSUNLMCQCEICR-UHFFFAOYSA-N
Smiles O=C(F)CC=1C=CC=CC1
InChI
InChI=1/C8H7FO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7FO
Molecular Weight 138.05
AlogP 1.73
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1578-63-8
NORMAN SUSDAT
PubChem 642641