Molecule ID: mol9044
SMILES: CSCC(=O)O
InChI: InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.67 | Datawarrior | 0 » -1 |
| 3.67 | OCHEM | 0 » -1 |
| 3.69 | AttenGpKa training set | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |