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

Structure

InChI Key GJGHBJCMOWRRSZ-UHFFFAOYSA-N
Smiles CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl
InChI
InChI=1S/C10H16Cl6/c1-3-6(12)4-7(13)9(15)10(16)8(14)5(2)11/h5-10H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16Cl6
Molecular Weight 345.94
AlogP 5.45
Number of Rotational Bond 7.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 51990-12-6
NORMAN SUSDAT