Molecule ID: mol5311
SMILES: NC(C(=O)O)C(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H9NO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1,7H2,(H,8,9)(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | IUPAC digitized pKa | -1 » -2 |
| 9.82 | IUPAC digitized pKa | -2 » -3 |