Molecule ID: mol4394
SMILES: Nc1cc(N)c2cccnc2c1O
InChI: InChI=1S/C9H9N3O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,10-11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.83 | QSARToolbox | 2 » 1 |
| 6.96 | Datawarrior | 1 » 0 |
| 6.96 | OCHEM | 1 » 0 |
| 6.96 | OCHEM | 1 » 0 |
| 6.96 | AttenGpKa training set | 1 » 0 |
| 6.96 | QSARToolbox | 1 » 0 |
| 6.96 | QSARToolbox | 1 » 0 |
| 10.83 | Datawarrior | 0 » -1 |
| 10.83 | OCHEM | 0 » -1 |
| 10.83 | OCHEM | 0 » -1 |
| 10.83 | AttenGpKa training set | 0 » -1 |