Molecule ID: mol4366
SMILES: Brc1ccc2ncccc2c1
InChI: InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.91 | IUPAC digitized pKa | 1 » 0 |
| 3.91 | OCHEM | 1 » 0 |
| 3.91 | AttenGpKa training set | 1 » 0 |
| 3.91 | QSARToolbox | 1 » 0 |