Molecule ID: mol11879
SMILES: CCN(CC(=O)O)C(C(=O)O)c1ccc(C)cc1
InChI: InChI=1S/C13H17NO4/c1-3-14(8-11(15)16)12(13(17)18)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.45 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | IUPAC digitized pKa | -1 » -2 |