Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40166952

Structure

InChI Key CNLIIAKAAMFCJG-UHFFFAOYSA-N
Smiles Clc1cnc(Cl)c(Cl)c1
InChI
InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H2Cl3N1
Molecular Weight 180.93
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16063-70-0
NORMAN SUSDAT
PubChem 27666
ChemSpider 25741.0