Molecule ID: mol12752
SMILES: Cc1cc(-c2ncc[nH]2)nn1C
InChI: InChI=1S/C8H10N4/c1-6-5-7(11-12(6)2)8-9-3-4-10-8/h3-5H,1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | Datawarrior | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 6.20 | OCHEM | 1 » 0 |
| 6.20 | Datawarrior | 1 » 0 |