Molecule ID: mol13670
SMILES: N#Cc1nn[nH]c1C#N
InChI: InChI=1S/C4HN5/c5-1-3-4(2-6)8-9-7-3/h(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.47 | Datawarrior | 0 » -1 |
| 1.47 | OCHEM | 0 » -1 |
| 1.47 | AttenGpKa training set | 0 » -1 |
| 1.47 | QSARToolbox | 0 » -1 |