Molecule ID: mol14030
SMILES: c1ccc(-c2ccn[nH]2)nc1
InChI: InChI=1S/C8H7N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.10 | Datawarrior | 2 » 1 |
| 4.46 | Datawarrior | 1 » 0 |
| 4.46 | OCHEM | 1 » 0 |
| 4.46 | QSARToolbox | 1 » 0 |