Molecule ID: mol10289
SMILES: O=Cc1cc(Br)cc([N+](=O)[O-])c1O
InChI: InChI=1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | IUPAC digitized pKa | 0 » -1 |
| 4.46 | Datawarrior | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |