Molecule ID: mol4327
SMILES: Brc1cncc2ccccc12
InChI: InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | QSARToolbox | 1 » 0 |
| 3.31 | IUPAC digitized pKa | 1 » 0 |
| 3.31 | OCHEM | 1 » 0 |
| 3.31 | AttenGpKa training set | 1 » 0 |
| 3.54 | Datawarrior | 1 » 0 |
| 3.54 | OCHEM | 1 » 0 |