Molecule ID: mol35605
SMILES: Cc1ccc(N(CCC(=O)O)CCC(=O)O)cc1
InChI: InChI=1S/C13H17NO4/c1-10-2-4-11(5-3-10)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 |
|---|---|---|
| 2.99 | QSARToolbox | 1 » 0 |
| 6.97 | QSARToolbox | -1 » -2 |