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

Structure

InChI Key FLZMTGVACFUWFA-UHFFFAOYSA-N
Smiles Oc1c(O)c(cc(Cl)c1F)C(F)(F)F
InChI
InChI=1S/C7H3ClF4O2/c8-3-1-2(7(10,11)12)5(13)6(14)4(3)9/h1,13-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl1F4O2
Molecular Weight 229.98
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT