Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A6A4BK2382
EPA CompTox DTXSID7062744

Structure

InChI Key GZEGFNCRZUGIOB-UHFFFAOYSA-N
Smiles Clc1cc2nc(Cl)c(Cl)nc2cc1
InChI
InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3Cl3N2
Molecular Weight 231.94
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2958-87-4
NORMAN SUSDAT
FDA SRS A6A4BK2382
PubChem 18070
ChemSpider 17071.0