Molecule ID: mol15820
SMILES: c1ccc(-c2nc3cnccc3[nH]2)cc1
InChI: InChI=1S/C12H9N3/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | Datawarrior | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 10.30 | Datawarrior | 0 » -1 |
| 10.30 | OCHEM | 0 » -1 |