Molecule ID: mol34612
SMILES: COc1ccc(N(CCC(=O)O)CCC(=O)O)cc1
InChI: InChI=1S/C13H17NO5/c1-19-11-4-2-10(3-5-11)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | QSARToolbox | 1 » 0 |
| 7.25 | QSARToolbox | -1 » -2 |