Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J7BW4GD9PS
EPA CompTox DTXSID50208130

Structure

InChI Key YFIIENAGGCUHIQ-UHFFFAOYSA-N
Smiles ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H1Cl7
Molecular Weight 281.79
AlogP 4.33
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 594-89-8
NORMAN SUSDAT
FDA SRS J7BW4GD9PS
PubChem 11677
ChemSpider 11187.0