Molecule ID: mol22637
SMILES: O=C(O)CN(CC(=O)O)c1ccccc1C(=O)O
InChI: InChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.34 | QSARToolbox | 0 » -1 |
| 2.34 | QSARToolbox | 0 » -1 |
| 2.34 | AttenGpKa training set | 0 » -1 |
| 2.98 | AttenGpKa training set | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 7.75 | QSARToolbox | -2 » -3 |
| 7.75 | AttenGpKa training set | -2 » -3 |