Molecule ID: mol15794
SMILES: Oc1ccc(/N=N/c2ccncc2)cc1
InChI: InChI=1S/C11H9N3O/c15-11-3-1-9(2-4-11)13-14-10-5-7-12-8-6-10/h1-8,15H/b14-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | Datawarrior | 1 » 0 |
| 4.65 | AttenGpKa training set | 1 » 0 |
| 7.73 | Datawarrior | 0 » -1 |
| 7.73 | AttenGpKa training set | 0 » -1 |