Molecule ID: mol22400
SMILES: CC(C)S(=O)(=O)C(C)C(=O)O
InChI: InChI=1S/C6H12O4S/c1-4(2)11(9,10)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.52 | QSARToolbox | 0 » -1 |
| 2.52 | QSARToolbox | 0 » -1 |
| 2.52 | OCHEM | 0 » -1 |
| 2.52 | AttenGpKa training set | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |