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

Structure

InChI Key KJSACGHPPNXZFT-UHFFFAOYSA-M
Smiles [I]|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3
InChI
InChI=1S/3C6H5.HI.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15I1Sn1
Molecular Weight 477.92
AlogP 1.08
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 894-09-7
NORMAN SUSDAT