Molecule ID: mol9844
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1O
InChI: InChI=1S/C6H2BrN3O7/c7-4-2(8(12)13)1-3(9(14)15)6(11)5(4)10(16)17/h1,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.05 | OCHEM | 0 » -1 |
| -0.05 | AttenGpKa training set | 0 » -1 |