Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C9G66D966B
EPA CompTox DTXSID8075251

Structure

InChI Key JFZJMSDDOOAOIV-UHFFFAOYSA-N
Smiles FC(F)(F)c1ccc(Cl)nc1
InChI
InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl1F3N1
Molecular Weight 180.99
AlogP 2.75
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 52334-81-3
NORMAN SUSDAT
FDA SRS C9G66D966B
PubChem 92342
ChemSpider 83365.0