Molecule ID: mol10602
SMILES: CC(=O)Sc1ccc(O)cc1
InChI: InChI=1S/C8H8O2S/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.88 | IUPAC digitized pKa | 0 » -1 |
| 8.88 | Datawarrior | 0 » -1 |
| 8.88 | AttenGpKa training set | 0 » -1 |
| 8.88 | OCHEM | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |