Molecule ID: mol13431
SMILES: C/C=C/c1ccc2cccnc2c1O
InChI: InChI=1S/C12H11NO/c1-2-4-10-7-6-9-5-3-8-13-11(9)12(10)14/h2-8,14H,1H3/b4-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 1 » 0 |
| 4.66 | Datawarrior | 1 » 0 |
| 4.76 | AttenGpKa training set | 1 » 0 |
| 11.24 | AttenGpKa training set | 0 » -1 |
| 11.34 | Datawarrior | 0 » -1 |