Molecule ID: mol12355
SMILES: CCCc1nnn[nH]1
InChI: InChI=1S/C4H8N4/c1-2-3-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.61 | Datawarrior | 0 » -1 |
| 5.61 | AttenGpKa training set | 0 » -1 |
| 5.61 | OCHEM | 0 » -1 |
| 5.61 | QSARToolbox | 0 » -1 |