Molecule ID: mol7525
SMILES: Nc1nc(N)c(Br)c(N)n1
InChI: InChI=1S/C4H6BrN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.30 | QSARToolbox | 2 » 1 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |