Molecule ID: mol3605
SMILES: Nc1ccncc1Br
InChI: InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.76 | IUPAC digitized pKa | 1 » 0 |
| 7.04 | OCHEM | 1 » 0 |
| 7.04 | OCHEM | 1 » 0 |
| 7.05 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |
| 7.15 | Datawarrior | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.15 | OCHEM | 1 » 0 |
| 7.20 | AttenGpKa training set | 1 » 0 |
| 7.34 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |