Molecule ID: mol13778
SMILES: O/N=C/c1ccnc2ccccc12
InChI: InChI=1S/C10H8N2O/c13-12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7,13H/b12-7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | Datawarrior | 1 » 0 |
| 4.55 | QSARToolbox | 1 » 0 |
| 10.42 | Datawarrior | 0 » -1 |