Molecule ID: mol23503
SMILES: CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O
InChI: InChI=1S/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | AttenGpKa training set | 0 » -1 |