Molecule ID: mol11577
SMILES: COC(=O)C(CC(=O)O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C11H11NO6/c1-18-11(15)9(6-10(13)14)7-2-4-8(5-3-7)12(16)17/h2-5,9H,6H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.07 | AttenGpKa training set | 0 » -1 |