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

Structure

InChI Key HUDMAQLYMUKZOZ-UHFFFAOYSA-N
Smiles COc1cc(F)ccc1F
InChI
InChI=1S/C7H6F2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6F2O1
Molecular Weight 144.04
AlogP 1.97
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 75626-17-4
NORMAN SUSDAT