Molecule ID: mol33962
SMILES: O=C(O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O
InChI: InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | -1 » -2 |
| 3.10 | QSARToolbox | -1 » -2 |
| 10.33 | QSARToolbox | -2 » -3 |