Molecule ID: mol22362

SMILES: CCS(=O)(=O)C(C)C(=O)O

InChI: InChI=1S/C5H10O4S/c1-3-10(8,9)4(2)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
2.45 AttenGpKa training set 0 » -1
2.49 OCHEM 0 » -1
2.49 QSARToolbox 0 » -1
2.49 QSARToolbox 0 » -1
2.56 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization