Molecule ID: mol8813
SMILES: NNc1ccc(Br)cc1
InChI: InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.05 | IUPAC digitized pKa | 1 » 0 |
| 5.05 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.05 | OCHEM | 1 » 0 |
| 5.05 | OCHEM | 1 » 0 |
| 5.05 | OCHEM | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |