Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V0QH7DT55P
EPA CompTox DTXSID6074203

Structure

InChI Key PAYFWJAKKLILIT-UHFFFAOYSA-N
Smiles Clc1cccc(c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C12H3Cl7/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H3Cl7
Molecular Weight 391.81
AlogP 7.93
Number of Rotational Bond 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 68194-16-1
NORMAN SUSDAT
FDA SRS V0QH7DT55P
PubChem 50102
ChemSpider 45447.0