Molecule ID: mol3632
SMILES: Brc1ccccn1
InChI: InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.71 | QSARToolbox | 1 » 0 |
| 0.71 | IUPAC digitized pKa | 1 » 0 |
| 0.71 | OCHEM | 1 » 0 |
| 0.71 | OCHEM | 1 » 0 |
| 0.80 | OCHEM | 1 » 0 |
| 0.81 | AttenGpKa training set | 1 » 0 |
| 0.90 | QSARToolbox | 1 » 0 |
| 0.90 | QSARToolbox | 1 » 0 |
| 0.90 | QSARToolbox | 1 » 0 |
| 0.90 | OCHEM | 1 » 0 |
| 0.90 | Datawarrior | 1 » 0 |
| 0.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.90 | OCHEM | 1 » 0 |
| 0.90 | OCHEM | 1 » 0 |
| 0.90 | Baltruschat ChEMBL | 1 » 0 |