Molecule ID: mol9200
SMILES: O=NN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C4H6N2O5/c7-3(8)1-6(5-11)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.28 | QSARToolbox | 1 » 0 |
| 2.28 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | AttenGpKa training set | 1 » 0 |
| 3.38 | AttenGpKa training set | 1 » 0 |
| 3.38 | IUPAC digitized pKa | -1 » -2 |