Molecule ID: mol11877
SMILES: NC(C(=O)CCC(=O)O)C(=O)OCc1ccccc1
InChI: InChI=1S/C13H15NO5/c14-12(10(15)6-7-11(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,12H,6-8,14H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | QSARToolbox | 1 » 0 |
| 6.20 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | IUPAC digitized pKa | -1 » -2 |