Molecule ID: mol12760
SMILES: Brc1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.56 | AttenGpKa training set | 1 » 0 |
| 3.73 | Datawarrior | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |