Molecule ID: mol3634
SMILES: Brc1ccncc1
InChI: InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | OCHEM | 1 » 0 |
| 3.71 | OCHEM | 1 » 0 |
| 3.71 | OCHEM | 1 » 0 |
| 3.75 | IUPAC digitized pKa | 1 » 0 |
| 3.75 | AttenGpKa training set | 1 » 0 |
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | IUPAC digitized pKa | 1 » 0 |
| 3.78 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |