Molecule ID: mol13826
SMILES: Cc1cc(C)n(-c2ccccn2)n1
InChI: InChI=1S/C10H11N3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11-10/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.40 | Datawarrior | 2 » 1 |
| 1.89 | QSARToolbox | 1 » 0 |
| 1.89 | Datawarrior | 1 » 0 |
| 1.89 | OCHEM | 1 » 0 |