Molecule ID: mol3636
SMILES: CNc1ccncc1Br
InChI: InChI=1S/C6H7BrN2/c1-8-6-2-3-9-4-5(6)7/h2-4H,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.14 | IUPAC digitized pKa | 1 » 0 |
| 7.49 | IUPAC digitized pKa | 1 » 0 |
| 7.49 | OCHEM | 1 » 0 |
| 7.49 | OCHEM | 1 » 0 |
| 7.49 | OCHEM | 1 » 0 |
| 7.82 | IUPAC digitized pKa | 1 » 0 |