Molecule ID: mol8919
SMILES: O=[N+]([O-])C(Br)[N+](=O)[O-]
InChI: InChI=1S/CHBrN2O4/c2-1(3(5)6)4(7)8/h1H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.47 | IUPAC digitized pKa | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.54 | AttenGpKa training set | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | QSARToolbox | 0 » -1 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.64 | IUPAC digitized pKa | 0 » -1 |