Molecule ID: mol13479
SMILES: CC(C)SC(C)C(=O)O
InChI: InChI=1S/C6H12O2S/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | Datawarrior | 0 » -1 |
| 3.78 | OCHEM | 0 » -1 |
| 3.78 | OCHEM | 0 » -1 |