Molecule ID: mol3633
SMILES: Brc1cccnc1
InChI: InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | QSARToolbox | 1 » 0 |
| 2.84 | QSARToolbox | 1 » 0 |
| 2.84 | AttenGpKa training set | 1 » 0 |
| 2.85 | IUPAC digitized pKa | 1 » 0 |
| 2.85 | IUPAC digitized pKa | 1 » 0 |
| 2.85 | OCHEM | 1 » 0 |
| 2.85 | OCHEM | 1 » 0 |
| 2.88 | OCHEM | 1 » 0 |
| 2.91 | IUPAC digitized pKa | 1 » 0 |
| 2.91 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.91 | OCHEM | 1 » 0 |
| 2.91 | OCHEM | 1 » 0 |
| 2.91 | QSARToolbox | 1 » 0 |
| 2.94 | Datawarrior | 1 » 0 |
| 2.94 | OCHEM | 1 » 0 |
| 2.99 | IUPAC digitized pKa | 1 » 0 |
| 3.05 | QSARToolbox | 1 » 0 |