Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I96RN8SOUT
EPA CompTox DTXSID8027795

Structure

InChI Key KFPBGJYBKSQIAI-UHFFFAOYSA-N
Smiles Clc1nc(C#N)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6Cl4N2/c7-3-2(1-11)12-6(10)5(9)4(3)8

Physicochemical Descriptors

Property Name Value
Molecular Formula C6Cl4N2
Molecular Weight 239.88
AlogP 3.57
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.68
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 17824-83-8
NORMAN SUSDAT
FDA SRS I96RN8SOUT
PubChem 87323
ChemSpider 78771.0