Molecule ID: mol5809
SMILES: CNN
InChI: InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | AttenGpKa training set | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.87 | OCHEM | 1 » 0 |
| 7.87 | IUPAC digitized pKa | 1 » 0 |
| 7.87 | Datawarrior | 1 » 0 |
| 7.87 | OCHEM | 1 » 0 |