Molecule ID: mol14540
SMILES: O=C(O)c1ccc([N+](=O)[O-])c2cccnc12
InChI: InChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.41 | Datawarrior | 1 » 0 |
| 1.41 | OCHEM | 1 » 0 |
| 4.67 | Datawarrior | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | OCHEM | 0 » -1 |