Molecule ID: mol12356
SMILES: CC(C)c1nnn[nH]1
InChI: InChI=1S/C4H8N4/c1-3(2)4-5-7-8-6-4/h3H,1-2H3,(H,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.53 | AttenGpKa training set | 0 » -1 |
| 5.55 | Datawarrior | 0 » -1 |
| 5.55 | QSARToolbox | 0 » -1 |
| 5.55 | OCHEM | 0 » -1 |