Molecule ID: mol15854
SMILES: CCSC(O)O
InChI: InChI=1S/C3H8O2S/c1-2-6-3(4)5/h3-5H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.55 | AttenGpKa training set | 0 » -1 |
| 6.55 | QSARToolbox | 0 » -1 |
| 7.62 | AttenGpKa training set | 0 » -1 |
| 11.48 | QSARToolbox | -1 » -2 |
| 11.48 | Datawarrior | -1 » -2 |
| 11.48 | OCHEM | -1 » -2 |
| 11.48 | AttenGpKa training set | -1 » -2 |
| 11.50 | QSARToolbox | -1 » -2 |