Molecule ID: mol1939
SMILES: CC(=O)c1ccc(S)cc1
InChI: InChI=1S/C8H8OS/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | AttenGpKa training set | 0 » -1 |
| 5.33 | OCHEM | 0 » -1 |
| 5.33 | QSARToolbox | 0 » -1 |
| 5.33 | QSARToolbox | 0 » -1 |
| 5.33 | Datawarrior | 0 » -1 |
| 5.33 | OCHEM | 0 » -1 |
| 5.33 | Hunt | 0 » -1 |