Molecule ID: mol9069
SMILES: CC(N)C(=O)NO
InChI: InChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | AttenGpKa training set | 1 » 0 |
| 7.25 | IUPAC digitized pKa | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |
| 7.44 | QSARToolbox | 1 » 0 |
| 9.18 | QSARToolbox | 0 » -1 |
| 9.26 | AttenGpKa training set | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |