Molecule ID: mol15818
SMILES: c1ccc(-c2nc3ccccc3[nH]2)nc1
InChI: InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.59 | Datawarrior | 2 » 1 |
| 4.41 | OCHEM | 1 » 0 |
| 4.41 | Datawarrior | 1 » 0 |
| 12.05 | Datawarrior | 0 » -1 |
| 12.05 | OCHEM | 0 » -1 |