Molecule ID: mol10241
SMILES: CC(C(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.57 | IUPAC digitized pKa | -1 » -2 |
| 1.57 | QSARToolbox | -1 » -2 |
| 2.46 | IUPAC digitized pKa | 0 » -1 |
| 10.47 | IUPAC digitized pKa | -2 » -3 |