Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20186618

Structure

InChI Key QNKFHUMDHRWWES-UHFFFAOYSA-N
Smiles Clc1nc2c(nc(Cl)nc2Cl)c(Cl)n1
InChI
InChI=1S/C6Cl4N4/c7-3-1-2(12-6(10)13-3)4(8)14-5(9)11-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6Cl4N4
Molecular Weight 267.89
AlogP 3.03
Hydrogen Bond Acceptor 4.0
Polar Surface Area 51.56
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 32980-71-5
NORMAN SUSDAT
PubChem 97007
ChemSpider 87575.0