Molecule ID: mol13497
SMILES: CC(C(N)=O)S(N)(=O)=O
InChI: InChI=1S/C3H8N2O3S/c1-2(3(4)6)9(5,7)8/h2H,1H3,(H2,4,6)(H2,5,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.86 | QSARToolbox | 0 » -1 |
| 9.86 | QSARToolbox | 0 » -1 |
| 9.86 | QSARToolbox | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.86 | Datawarrior | 0 » -1 |
| 9.86 | AttenGpKa training set | 0 » -1 |