Molecule ID: mol1648
SMILES: Nc1ccc(Br)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H5BrN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 1.80 | IUPAC digitized pKa | 1 » 0 |
| 1.80 | Hunt | 1 » 0 |
| 1.80 | OCHEM | 1 » 0 |