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

Structure

InChI Key FHKUUILMHIOLID-UHFFFAOYSA-N
Smiles CC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCl
InChI
InChI=1S/C24H43Cl7/c1-19(26)7-2-8-20(27)9-3-10-21(28)11-4-12-22(29)13-5-14-23(30)15-6-16-24(31)17-18-25/h19-24H,2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H43Cl7
Molecular Weight 576.12
AlogP 11.13
Number of Rotational Bond 22.0
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 108171-27-3
NORMAN SUSDAT