Molecule ID: mol15940
SMILES: COC(=O)CCS
InChI: InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.33 | OCHEM | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | QSARToolbox | 0 » -1 |
| 9.33 | Datawarrior | 0 » -1 |
| 9.33 | AttenGpKa training set | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |