Molecule ID: mol22361

SMILES: CC(C)S(=O)(=O)CC(=O)O

InChI: InChI=1S/C5H10O4S/c1-4(2)10(8,9)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.52 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization