Molecule ID: mol35809
SMILES: Cc1cccc(N(CCC(=O)O)CCC(=O)O)c1
InChI: InChI=1S/C13H17NO4/c1-10-3-2-4-11(9-10)14(7-5-12(15)16)8-6-13(17)18/h2-4,9H,5-8H2,1H3,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 1 » 0 |
| 6.72 | QSARToolbox | -1 » -2 |