Molecule ID: mol11721
SMILES: COC(=O)CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H13NO6/c1-12(11(15)16,7-10(14)19-2)8-3-5-9(6-4-8)13(17)18/h3-6H,7H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | AttenGpKa training set | 0 » -1 |