Molecule ID: mol15944
SMILES: CSC(C)C(=O)O
InChI: InChI=1S/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | AttenGpKa training set | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | Datawarrior | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |