Molecule ID: mol13645
SMILES: O=C(O)c1csc(Br)n1
InChI: InChI=1S/C4H2BrNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | Datawarrior | 0 » -1 |
| 3.28 | OCHEM | 0 » -1 |
| 3.28 | AttenGpKa training set | 0 » -1 |