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

Structure

InChI Key WDBAXYQUOZDFOJ-UHFFFAOYSA-N
Smiles Fc1cccc(C=O)c1F
InChI
InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4F2O1
Molecular Weight 142.02
AlogP 1.78
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2646-91-5
NORMAN SUSDAT