Molecule ID: mol4296
SMILES: Nc1nnn[nH]1
InChI: InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.76 | IUPAC digitized pKa | 1 » 0 |
| 1.80 | QSARToolbox | 1 » 0 |
| 1.81 | OCHEM | 1 » 0 |
| 1.81 | Datawarrior | 1 » 0 |
| 1.82 | AttenGpKa training set | 1 » 0 |
| 1.82 | QSARToolbox | 1 » 0 |
| 5.93 | QSARToolbox | 0 » -1 |
| 5.98 | Datawarrior | 0 » -1 |
| 5.98 | OCHEM | 0 » -1 |
| 6.03 | AttenGpKa training set | 0 » -1 |
| 6.03 | QSARToolbox | 0 » -1 |
| 6.07 | IUPAC digitized pKa | 0 » -1 |