Molecule ID: mol13982
SMILES: Cc1cc(-c2ncc[nH]2)n[nH]1
InChI: InChI=1S/C7H8N4/c1-5-4-6(11-10-5)7-8-2-3-9-7/h2-4H,1H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | Datawarrior | 2 » 1 |
| 1.50 | QSARToolbox | 2 » 1 |
| 6.16 | OCHEM | 1 » 0 |
| 6.16 | Datawarrior | 1 » 0 |