Molecule ID: mol15918
SMILES: CC(N)=NO
InChI: InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.78 | AttenGpKa training set | 1 » 0 |
| 5.90 | Datawarrior | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |
| 13.06 | AttenGpKa training set | 0 » -1 |