Molecule ID: mol2205
SMILES: Nc1cc(Br)ccc1[N+](=O)[O-]
InChI: InChI=1S/C6H5BrN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.48 | QSARToolbox | 1 » 0 |
| -1.48 | IUPAC digitized pKa | 1 » 0 |
| -1.48 | Hunt | 1 » 0 |
| -1.48 | OCHEM | 1 » 0 |
| -1.48 | OCHEM | 1 » 0 |