Molecule ID: mol29504
SMILES: CN1C(=O)CC(=O)NC1=O
InChI: InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 12.80 | AttenGpKa training set | 2 » 1 |
| 12.80 | QSARToolbox | 2 » 1 |