Molecule ID: mol7250
SMILES: Nc1ncc(Br)c(N)n1
InChI: InChI=1S/C4H5BrN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | QSARToolbox | 1 » 0 |
| 5.58 | IUPAC digitized pKa | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |