Molecule ID: mol8812
SMILES: NNc1cccc(Br)c1
InChI: InChI=1S/C6H7BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 4.84 | AttenGpKa training set | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |