Molecule ID: mol14523
SMILES: C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1
InChI: InChI=1S/C13H11N3/c1-16-8-6-10(7-9-16)13-14-11-4-2-3-5-12(11)15-13/h2-9H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | QSARToolbox | 2 » 1 |
| 2.26 | Datawarrior | 2 » 1 |
| 2.26 | OCHEM | 2 » 1 |
| 8.89 | Datawarrior | 1 » 0 |
| 8.89 | OCHEM | 1 » 0 |