Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1068643

Structure

InChI Key ZHNXVFQAGRDLBV-UHFFFAOYSA-N
Smiles Clc1ccc(nc1Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H2Cl5N/c7-3-1-2-4(6(9,10)11)12-5(3)8/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 51492-01-4
NORMAN SUSDAT
PubChem 3084986
ChemSpider 2341974.0