Molecule ID: mol12762
SMILES: Brc1ccccc1-c1nnn[nH]1
InChI: InChI=1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | Datawarrior | 0 » -1 |