Molecule ID: mol15468
SMILES: CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1O
InChI: InChI=1S/C12H10N2O5/c1-2-19-12(16)9-6-13-10-5-7(14(17)18)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | Datawarrior | 0 » -1 |
| 9.32 | OCHEM | 0 » -1 |
| 9.32 | Datawarrior | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |