Molecule ID: mol16013
SMILES: CCc1nnn[nH]1
InChI: InChI=1S/C3H6N4/c1-2-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Datawarrior | 0 » -1 |
| 5.59 | AttenGpKa training set | 0 » -1 |
| 5.59 | QSARToolbox | 0 » -1 |
| 5.59 | OCHEM | 0 » -1 |