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

Structure

InChI Key RKCGJVGMRPKPNY-UHFFFAOYSA-N
Smiles COc1ccc(F)cc1Cl
InChI
InChI=1S/C7H6ClFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl1F1O1
Molecular Weight 160.01
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2267-25-6
NORMAN SUSDAT