Molecule ID: mol13495
SMILES: NC(=O)CC(N)C(=O)O
InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | QSARToolbox | 2 » 1 |
| 2.02 | QSARToolbox | 2 » 1 |
| 2.02 | QSARToolbox | 2 » 1 |
| 2.02 | QSARToolbox | 2 » 1 |
| 2.02 | Datawarrior | 2 » 1 |
| 2.02 | OCHEM | 2 » 1 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.14 | Datawarrior | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 8.73 | QSARToolbox | 0 » -1 |
| 8.79 | Datawarrior | 0 » -1 |
| 8.82 | QSARToolbox | 0 » -1 |
| 8.82 | OCHEM | 0 » -1 |
| 8.93 | Datawarrior | 0 » -1 |
| 11.85 | Datawarrior | -1 » -2 |