Molecule ID: mol691
SMILES: COC(=O)CS
InChI: InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | Datawarrior | 0 » -1 |
| 7.57 | QSARToolbox | 0 » -1 |
| 7.57 | OCHEM | 0 » -1 |
| 7.68 | IUPAC digitized pKa | 0 » -1 |
| 7.74 | QSARToolbox | 0 » -1 |
| 7.80 | QSARToolbox | 0 » -1 |
| 7.89 | QSARToolbox | 0 » -1 |
| 7.89 | QSARToolbox | 0 » -1 |
| 7.91 | AttenGpKa training set | 0 » -1 |
| 8.03 | IUPAC digitized pKa | 0 » -1 |
| 8.08 | OCHEM | 0 » -1 |
| 8.08 | Hunt | 0 » -1 |
| 8.83 | QSARToolbox | 0 » -1 |