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

Structure

InChI Key SFPMTXHMUNJKGU-UHFFFAOYSA-M
Smiles CCC[Sn](|[O]C(=O)CI)(CCC)CCC
InChI
InChI=1S/3C3H7.C2H3IO2.Sn/c3*1-3-2;3-1-2(4)5;/h3*1,3H2,2H3;1H2,(H,4,5);/q;;;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23I1O2Sn1
Molecular Weight 433.98
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.13
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 73927-92-1
NORMAN SUSDAT