Molecule ID: mol31393
SMILES: NC(CO)C(=O)NO
InChI: InChI=1S/C3H8N2O3/c4-2(1-6)3(7)5-8/h2,6,8H,1,4H2,(H,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.77 | QSARToolbox | 1 » 0 |
| 6.78 | AttenGpKa training set | 1 » 0 |
| 8.90 | QSARToolbox | 0 » -1 |
| 8.97 | AttenGpKa training set | 0 » -1 |
| 12.72 | QSARToolbox | -1 » -2 |