Molecule ID: mol36108
SMILES: O=C(O)CCN(CCC(=O)O)c1ccc(O)cc1
InChI: InChI=1S/C12H15NO5/c14-10-3-1-9(2-4-10)13(7-5-11(15)16)8-6-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | QSARToolbox | 1 » 0 |
| 7.55 | QSARToolbox | -1 » -2 |
| 7.55 | QSARToolbox | -1 » -2 |
| 10.32 | QSARToolbox | -2 » -3 |
| 10.32 | QSARToolbox | -2 » -3 |