Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5B8VXX9H58
EPA CompTox DTXSID5061617

Structure

InChI Key YWSFDYUMEBEQNZ-UHFFFAOYSA-N
Smiles Clc1cnc(c(Cl)c1Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C6HCl6N/c7-2-1-13-5(6(10,11)12)4(9)3(2)8/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H1Cl6N1
Molecular Weight 296.82
AlogP 4.87
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1201-30-5
NORMAN SUSDAT
FDA SRS 5B8VXX9H58
PubChem 70990
ChemSpider 64151.0