Molecule ID: mol15947
SMILES: CCSC(C)(O)O
InChI: InChI=1S/C4H10O2S/c1-3-7-4(2,5)6/h5-6H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | AttenGpKa training set | 0 » -1 |
| 12.10 | QSARToolbox | -1 » -2 |
| 12.13 | Datawarrior | -1 » -2 |
| 12.13 | OCHEM | -1 » -2 |
| 12.13 | AttenGpKa training set | -1 » -2 |
| 12.13 | QSARToolbox | -1 » -2 |