Molecule ID: mol36109
SMILES: O=C(O)CCN(CCC(=O)O)c1ccccc1O
InChI: InChI=1S/C12H15NO5/c14-10-4-2-1-3-9(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 |
|---|---|---|
| 3.22 | QSARToolbox | 0 » -1 |
| 7.13 | QSARToolbox | -1 » -2 |
| 7.13 | QSARToolbox | -1 » -2 |
| 11.00 | QSARToolbox | -2 » -3 |
| 11.00 | QSARToolbox | -2 » -3 |