Molecule ID: mol5999
SMILES: Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Br)c1[N+](=O)[O-]
InChI: InChI=1S/C6H3BrN4O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -10.86 | AttenGpKa training set | 1 » 0 |
| -9.58 | OCHEM | 1 » 0 |
| -9.58 | OCHEM | 1 » 0 |