Molecule ID: mol29399
SMILES: NN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C4H8N2O4/c5-6(1-3(7)8)2-4(9)10/h1-2,5H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | AttenGpKa training set | 1 » 0 |
| 2.40 | QSARToolbox | 1 » 0 |
| 3.07 | AttenGpKa training set | 1 » 0 |
| 3.12 | QSARToolbox | 1 » 0 |
| 7.23 | AttenGpKa training set | -1 » -2 |
| 7.32 | QSARToolbox | -1 » -2 |