Molecule ID: mol1647
SMILES: Nc1cc([N+](=O)[O-])ccc1Br
InChI: InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.52 | QSARToolbox | 1 » 0 |
| 0.52 | IUPAC digitized pKa | 1 » 0 |
| 0.52 | Hunt | 1 » 0 |
| 0.52 | OCHEM | 1 » 0 |
| 0.52 | OCHEM | 1 » 0 |