Molecule ID: mol14258
SMILES: CC(=O)Nc1ccc(S)cc1
InChI: InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.08 | OCHEM | 0 » -1 |
| 6.08 | QSARToolbox | 0 » -1 |
| 6.08 | QSARToolbox | 0 » -1 |
| 6.08 | Datawarrior | 0 » -1 |
| 6.08 | AttenGpKa training set | 0 » -1 |