Molecule ID: mol7167
SMILES: Sc1ncc(Br)cn1
InChI: InChI=1S/C4H3BrN2S/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.43 | QSARToolbox | 1 » 0 |
| -0.43 | IUPAC digitized pKa | 1 » 0 |
| 5.22 | OCHEM | 0 » -1 |
| 5.22 | OCHEM | 0 » -1 |
| 5.52 | QSARToolbox | 0 » -1 |
| 5.52 | IUPAC digitized pKa | 0 » -1 |