Molecule ID: mol11881
SMILES: COC(=O)CC(C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI: InChI=1S/C13H15NO6/c1-13(12(16)17,8-11(15)20-2)7-9-3-5-10(6-4-9)14(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |