Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00229597

Structure

InChI Key STMPXDBGVJZCEX-UHFFFAOYSA-N
Smiles O=S(=O)(O[Si](CC)(CC)CC)C(F)(F)F
InChI
InChI=1/C7H15F3O3SSi/c1-4-15(5-2,6-3)13-14(11,12)7(8,9)10/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15F3O3SSi
Molecular Weight 264.05
AlogP 2.86
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 43.37
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 79271-56-0
NORMAN SUSDAT
PubChem 2733308