Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60208161

Structure

InChI Key QMDIZIDCORWBJK-UHFFFAOYSA-N
Smiles ClCC(CCl)OC(CCl)CCl
InChI
InChI=1S/C6H10Cl4O/c7-1-5(2-8)11-6(3-9)4-10/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl4O1
Molecular Weight 237.95
AlogP 2.7
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 59440-89-0
NORMAN SUSDAT
PubChem 93323
ChemSpider 84251.0