Molecule ID: mol7145
SMILES: Brc1ncccn1
InChI: InChI=1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.90 | OCHEM | 1 » 0 |
| -1.63 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -1.63 | OCHEM | 1 » 0 |
| -1.63 | OCHEM | 1 » 0 |
| -1.63 | AttenGpKa training set | 1 » 0 |
| -1.63 | QSARToolbox | 1 » 0 |