Molecule ID: mol14218
SMILES: COc1ccccc1/C=N/O
InChI: InChI=1S/C8H9NO2/c1-11-8-5-3-2-4-7(8)6-9-10/h2-6,10H,1H3/b9-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.89 | Datawarrior | 0 » -1 |
| 10.89 | AttenGpKa training set | 0 » -1 |
| 10.89 | QSARToolbox | 0 » -1 |