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

Structure

InChI Key MDNRRDNDZIOCBK-UHFFFAOYSA-N
Smiles ClC1C(Cl)(Cl)C(Cl)C(Cl)(Cl)C1(Cl)Cl
InChI
InChI=1S/C5H2Cl8/c6-1-3(8,9)2(7)5(12,13)4(1,10)11/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H2Cl8
Molecular Weight 341.77
AlogP 4.74
Heavy Atoms 13.0

Cross References

Resources Reference
NORMAN SUSDAT