Molecule ID: mol29313
SMILES: NOCCC(N)C(=O)O
InChI: InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.24 | QSARToolbox | 2 » 1 |
| 2.32 | AttenGpKa training set | 2 » 1 |
| 2.40 | OCHEM | 2 » 1 |
| 2.40 | QSARToolbox | 2 » 1 |
| 3.70 | OCHEM | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 4.35 | AttenGpKa training set | 1 » 0 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | AttenGpKa training set | 0 » -1 |