Molecule ID: mol12041
SMILES: O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1)CC(=O)O
InChI: InChI=1S/C15H20N2O6/c18-13(19)9-16(8-12-4-2-1-3-5-12)6-7-17(10-14(20)21)11-15(22)23/h1-5H,6-11H2,(H,18,19)(H,20,21)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 5.10 | IUPAC digitized pKa | -1 » -2 |
| 9.84 | IUPAC digitized pKa | -2 » -3 |