Molecule ID: mol35820
SMILES: Cc1ccccc1N(CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C13H17NO4/c1-10-4-2-3-5-11(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 |
|---|---|---|
| 2.92 | QSARToolbox | 1 » 0 |
| 3.95 | QSARToolbox | 0 » -1 |
| 7.18 | QSARToolbox | -1 » -2 |