Molecule ID: mol29498
SMILES: O=C1CC(=O)NC(=O)N1
InChI: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.90 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 4.01 | QSARToolbox | 0 » -1 |
| 4.01 | QSARToolbox | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |
| 4.03 | QSARToolbox | 0 » -1 |
| 4.03 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.08 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.51 | AttenGpKa training set | 0 » -1 |
| 12.28 | QSARToolbox | -1 » -2 |
| 12.28 | AttenGpKa training set | -1 » -2 |
| 12.50 | QSARToolbox | -1 » -2 |
| 12.50 | QSARToolbox | -1 » -2 |
| 12.60 | QSARToolbox | -1 » -2 |