Molecule ID: mol13473
SMILES: O=[N+]([O-])c1n[nH]c(-n2cnc(Br)n2)n1
InChI: InChI=1S/C4H2BrN7O2/c5-2-6-1-11(10-2)3-7-4(9-8-3)12(13)14/h1H,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.63 | QSARToolbox | 0 » -1 |
| 1.63 | Datawarrior | 0 » -1 |
| 1.63 | OCHEM | 0 » -1 |