Molecule ID: mol14040
SMILES: On1nnc2ccc(Br)cc21
InChI: InChI=1S/C6H4BrN3O/c7-4-1-2-5-6(3-4)10(11)9-8-5/h1-3,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | Datawarrior | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.97 | AttenGpKa training set | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |