Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50989250

Structure

InChI Key OVENUGPMQDFGLE-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=C(Cl)C=C(N)C1
InChI
InChI=1/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5ClF3N
Molecular Weight 195.01
AlogP 2.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 69411-05-8
NORMAN SUSDAT
PubChem 3017933