Molecule ID: mol7165
SMILES: Oc1ncncc1Br
InChI: InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.43 | QSARToolbox | 1 » 0 |
| 7.20 | QSARToolbox | 0 » -1 |
| 7.20 | IUPAC digitized pKa | 0 » -1 |
| 7.36 | OCHEM | 0 » -1 |