Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q4PB63CDC4
EPA CompTox DTXSID7059640

Structure

InChI Key AQVKVGOTPBBVMS-UHFFFAOYSA-N
Smiles ClC(Cl)c1c(Cl)cc(Cl)cc1
InChI
InChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl4
Molecular Weight 227.91
AlogP 4.47
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 134-25-8
NORMAN SUSDAT
FDA SRS Q4PB63CDC4
PubChem 8637
ChemSpider 8289.0