Molecule ID: mol15584
SMILES: CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O
InChI: InChI=1S/C13H15NO5/c1-3-19-13(16)12(9(2)15)8-10-4-6-11(7-5-10)14(17)18/h4-7,12H,3,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.06 | Datawarrior | 0 » -1 |
| 11.06 | OCHEM | 0 » -1 |
| 11.06 | QSARToolbox | 0 » -1 |