Molecule ID: mol14977
SMILES: O=C(N/N=C/c1ccccc1O)c1ccncc1
InChI: InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.33 | QSARToolbox | 1 » 0 |
| 3.33 | Datawarrior | 1 » 0 |
| 8.31 | Datawarrior | 0 » -1 |
| 11.26 | Datawarrior | -1 » -2 |