Molecule ID: mol2192
SMILES: Cc1nc(N)ncc1Br
InChI: InChI=1S/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.61 | QSARToolbox | 1 » 0 |
| 2.61 | IUPAC digitized pKa | 1 » 0 |
| 2.61 | Hunt | 1 » 0 |
| 2.61 | OCHEM | 1 » 0 |