Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20872509

Structure

InChI Key BVFSYZFXJYAPQJ-UHFFFAOYSA-N
Smiles O=[Sn]CCCC
InChI
InChI=1/C4H9.O.Sn/c1-3-4-2;;/h1,3-4H2,2H3;;/q;;+1/rC4H9OSn/c1-2-3-4-6-5/h2-4H2,1H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9OSn
Molecular Weight 192.97
AlogP 1.25
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 51590-67-1
NORMAN SUSDAT
PubChem 6328285