Molecule ID: mol8951
SMILES: O=C(O)CS(=O)(=O)O
InChI: InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.24 | QSARToolbox | -1 » -2 |
| 2.24 | QSARToolbox | -1 » -2 |
| 4.07 | IUPAC digitized pKa | -1 » -2 |
| 4.20 | IUPAC digitized pKa | -1 » -2 |
| 4.20 | AttenGpKa training set | -1 » -2 |