Molecule ID: mol9068
SMILES: COCC(=O)NN
InChI: InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.76 | IUPAC digitized pKa | 1 » 0 |
| 2.76 | AttenGpKa training set | 1 » 0 |
| 12.10 | QSARToolbox | 0 » -1 |
| 12.14 | IUPAC digitized pKa | 0 » -1 |
| 12.14 | Datawarrior | 0 » -1 |
| 12.14 | OCHEM | 0 » -1 |
| 12.14 | AttenGpKa training set | 0 » -1 |
| 12.14 | QSARToolbox | 0 » -1 |