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

Structure

InChI Key SBTSVTLGWRLWOD-UHFFFAOYSA-L
Smiles FC(F)(F)S(=O)(=O)O[Cu]OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/2CHF3O3S.Cu/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Cu1F6O6S2
Molecular Weight 360.83
AlogP 0.1
Hydrogen Bond Acceptor 6.0
Polar Surface Area 114.4
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 34946-82-2
NORMAN SUSDAT