Molecule ID: mol3064
SMILES: NCC(N)=O
InChI: InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.78 | QSARToolbox | 1 » 0 |
| 7.89 | QSARToolbox | 1 » 0 |
| 7.93 | QSARToolbox | 1 » 0 |
| 7.93 | QSARToolbox | 1 » 0 |
| 7.93 | AttenGpKa training set | 1 » 0 |
| 7.94 | OCHEM | 1 » 0 |
| 7.95 | QSARToolbox | 1 » 0 |
| 7.95 | OCHEM | 1 » 0 |
| 7.95 | OCHEM | 1 » 0 |
| 7.99 | QSARToolbox | 1 » 0 |
| 7.99 | QSARToolbox | 1 » 0 |
| 8.05 | Datawarrior | 1 » 0 |
| 8.05 | OCHEM | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |
| 8.21 | QSARToolbox | 1 » 0 |
| 8.27 | QSARToolbox | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 8.29 | QSARToolbox | 1 » 0 |
| 8.45 | QSARToolbox | 1 » 0 |