Molecule ID: mol7000
SMILES: Nc1ncncc1Br
InChI: InChI=1S/C4H4BrN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.67 | OCHEM | 1 » 0 |
| 3.97 | IUPAC digitized pKa | 1 » 0 |
| 3.97 | QSARToolbox | 1 » 0 |