Molecule ID: mol14558
SMILES: Nc1n[nH]c(N)c1/N=N/c1ccccc1O
InChI: InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-3-1-2-4-6(5)16/h1-4,16H,(H5,10,11,14,15)/b13-12+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.51 | QSARToolbox | 2 » 1 |
| 3.51 | Datawarrior | 2 » 1 |
| 8.22 | Datawarrior | 0 » -1 |