Molecule ID: mol38500
SMILES: NC(CC(C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 4.75 | QSARToolbox | 1 » 0 |