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

Structure

InChI Key AEBJPMMMKMMACK-UHFFFAOYSA-N
Smiles O=S(=O)(F)C1CCC(C1)S(=O)(=O)F
InChI
InChI=1/C5H8F2O4S2/c6-12(8,9)4-1-2-5(3-4)13(7,10)11/h4-5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8F2O4S2
Molecular Weight 233.98
AlogP 0.51
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 68.28
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 35944-73-1
NORMAN SUSDAT
PubChem 118263