Molecule ID: mol4367
SMILES: Brc1ccc2cccnc2c1
InChI: InChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | QSARToolbox | 1 » 0 |
| 3.87 | IUPAC digitized pKa | 1 » 0 |
| 3.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | AttenGpKa training set | 1 » 0 |