Molecule ID: mol13111
SMILES: NC(=O)[C@H](N)[C@H](O)C(=O)O
InChI: InChI=1S/C4H8N2O4/c5-1(3(6)8)2(7)4(9)10/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.31 | QSARToolbox | 1 » 0 |
| 2.31 | Datawarrior | 1 » 0 |
| 7.17 | Datawarrior | 0 » -1 |