Molecule ID: mol3330
SMILES: Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.94 | OCHEM | 1 » 0 |
| -6.94 | OCHEM | 1 » 0 |
| -6.71 | QSARToolbox | 1 » 0 |
| -6.64 | IUPAC digitized pKa | 1 » 0 |
| -6.64 | AttenGpKa training set | 1 » 0 |
| -6.64 | QSARToolbox | 1 » 0 |