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

Structure

InChI Key HMNBSALOXVFVGK-YFHOEESVSA-N
Smiles O=CC(=C(Cl)C1=CC=C(F)C=C1)C
InChI
InChI=1/C10H8ClFO/c1-7(6-13)10(11)8-2-4-9(12)5-3-8/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8ClFO
Molecular Weight 198.02
AlogP 2.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 83783-51-1
NORMAN SUSDAT
PubChem 6365861