Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 622I1A3P3Y
EPA CompTox DTXSID50194807

Structure

InChI Key AYFZLXIPQYMONU-UHFFFAOYSA-N
Smiles ClC(Cl)c1cc(Cl)c(cc1Cl)C(Cl)Cl
InChI
InChI=1S/C8H4Cl6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,7-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Cl6
Molecular Weight 309.84
AlogP 5.95
Number of Rotational Bond 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 41999-84-2
NORMAN SUSDAT
FDA SRS 622I1A3P3Y
PubChem 2749734
ChemSpider 2031059.0