Molecule ID: mol15470
SMILES: CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O
InChI: InChI=1S/C12H10N2O5/c1-2-19-12(16)8-6-13-10-7(11(8)15)4-3-5-9(10)14(17)18/h3-6H,2H2,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | QSARToolbox | 0 » -1 |
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | Datawarrior | 0 » -1 |
| 9.10 | QSARToolbox | 0 » -1 |