Molecule ID: mol12447
SMILES: CC(C)SCC(=O)O
InChI: InChI=1S/C5H10O2S/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | Datawarrior | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | AttenGpKa training set | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |