Molecule ID: mol34864
SMILES: COc1ccccc1N(CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C13H17NO5/c1-19-11-5-3-2-4-10(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 |
|---|---|---|
| 3.15 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 7.58 | QSARToolbox | -1 » -2 |