Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40203912

Structure

InChI Key XLZHJPALXIYDGU-UHFFFAOYSA-N
Smiles Clc1nc(Cl)c(cc1)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H2Cl5N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl5N1
Molecular Weight 262.86
AlogP 4.22
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 55366-30-8
NORMAN SUSDAT
PubChem 108701
ChemSpider 97743.0