Molecule ID: mol13065
SMILES: Cc1ccc(/C=N/O)cc1
InChI: InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.90 | AttenGpKa training set | 0 » -1 |
| 10.94 | QSARToolbox | 0 » -1 |
| 10.94 | Datawarrior | 0 » -1 |
| 11.05 | QSARToolbox | 0 » -1 |