Molecule ID: mol13456
SMILES: NC(Cc1ccccc1)c1nnn[nH]1
InChI: InChI=1S/C9H11N5/c10-8(9-11-13-14-12-9)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.93 | OCHEM | 1 » 0 |
| 1.93 | QSARToolbox | 1 » 0 |
| 1.93 | Datawarrior | 1 » 0 |
| 8.18 | Datawarrior | 0 » -1 |
| 8.18 | OCHEM | 0 » -1 |
| 8.18 | QSARToolbox | 0 » -1 |