Molecule ID: mol3065
SMILES: NCC(=O)NN
InChI: InChI=1S/C2H7N3O/c3-1-2(6)5-4/h1,3-4H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | IUPAC digitized pKa | 2 » 1 |
| 2.38 | Datawarrior | 2 » 1 |
| 2.38 | AttenGpKa training set | 2 » 1 |
| 2.38 | QSARToolbox | 2 » 1 |
| 2.38 | QSARToolbox | 2 » 1 |
| 7.69 | IUPAC digitized pKa | 1 » 0 |
| 7.69 | Datawarrior | 1 » 0 |
| 7.69 | OCHEM | 1 » 0 |
| 7.69 | AttenGpKa training set | 1 » 0 |
| 7.69 | QSARToolbox | 1 » 0 |
| 7.69 | OCHEM | 1 » 0 |