Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00343464

Structure

InChI Key RXATZPCCMYMPME-UHFFFAOYSA-N
Smiles FC(F)(F)c1cccnc1Cl
InChI
InChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/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 65753-47-1
NORMAN SUSDAT
PubChem 589833
ChemSpider 512734.0