Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0071334

Structure

InChI Key SKFXNBMYNHVVJU-UHFFFAOYSA-N
Smiles O=S(=O)(N(CC)CCC[Si](OC)(OC)OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1/C15H20F15NO5SSi/c1-5-31(7-6-8-38(34-2,35-3)36-4)37(32,33)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20F15NO5SSi
Molecular Weight 639.06
AlogP 5.24
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 15.0
Polar Surface Area 65.07
Heavy Atoms 38.0

Cross References

Resources Reference
CAS NUMBER 68239-75-8
NORMAN SUSDAT
PubChem 109921