Molecule ID: mol15931
SMILES: c1nnn[nH]1
InChI: InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.00 | Baltruschat ChEMBL | 1 » 0 |
| -2.38 | AttenGpKa training set | 1 » 0 |
| 4.67 | AttenGpKa training set | 0 » -1 |
| 4.79 | QSARToolbox | 0 » -1 |
| 4.79 | Baltruschat ChEMBL | 0 » -1 |
| 4.84 | Datawarrior | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |