Molecule ID: mol15125
SMILES: NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O
InChI: InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | Datawarrior | 1 » 0 |
| 2.70 | OCHEM | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |
| 3.40 | Datawarrior | 0 » -1 |
| 4.70 | Datawarrior | -1 » -2 |
| 8.26 | Datawarrior | -2 » -3 |
| 8.26 | OCHEM | -2 » -3 |