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

Structure

InChI Key YHHVXVNXTMIXOL-UHFFFAOYSA-M
Smiles [I]|[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/3C4H9.HI.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27I1Sn1
Molecular Weight 418.02
AlogP 1.48
Number of Rotational Bond 3.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 7342-47-4
NORMAN SUSDAT