Molecule ID: mol7164
SMILES: Oc1ncc(Br)cn1
InChI: InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.44 | QSARToolbox | 1 » 0 |
| 7.06 | OCHEM | 0 » -1 |
| 7.06 | OCHEM | 0 » -1 |
| 7.36 | IUPAC digitized pKa | 0 » -1 |
| 7.36 | QSARToolbox | 0 » -1 |