Molecule ID: mol15469
SMILES: CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O
InChI: InChI=1S/C12H10N2O5/c1-2-19-12(16)9-6-13-10-4-3-7(14(17)18)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | QSARToolbox | 0 » -1 |
| 8.00 | Datawarrior | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |