Molecule ID: mol15831
SMILES: Cc1nnn[nH]1
InChI: InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.83 | AttenGpKa training set | 1 » 0 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |
| 5.50 | QSARToolbox | 0 » -1 |
| 5.52 | Datawarrior | 0 » -1 |
| 5.52 | OCHEM | 0 » -1 |
| 5.56 | QSARToolbox | 0 » -1 |
| 5.60 | AttenGpKa training set | 0 » -1 |