Molecule ID: mol30776
SMILES: COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | AttenGpKa training set | 0 » -1 |
| 2.45 | QSARToolbox | 0 » -1 |