Molecule ID: mol12843
SMILES: NC(c1ncc[nH]1)c1ncc[nH]1
InChI: InChI=1S/C7H9N5/c8-5(6-9-1-2-10-6)7-11-3-4-12-7/h1-5H,8H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | Datawarrior | 2 » 1 |
| 4.07 | QSARToolbox | 2 » 1 |
| 6.49 | OCHEM | 1 » 0 |
| 6.49 | Datawarrior | 1 » 0 |