Molecule ID: mol7168
SMILES: Sc1ncncc1Br
InChI: InChI=1S/C4H3BrN2S/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.46 | QSARToolbox | 1 » 0 |
| -0.46 | IUPAC digitized pKa | 1 » 0 |
| 5.65 | IUPAC digitized pKa | 0 » -1 |
| 5.65 | OCHEM | 0 » -1 |
| 5.65 | QSARToolbox | 0 » -1 |