Molecule ID: mol37230
SMILES: Cn1ccc2c(S(=O)(=O)O)cc(Br)c(O)c21
InChI: InChI=1S/C9H8BrNO4S/c1-11-3-2-5-7(16(13,14)15)4-6(10)9(12)8(5)11/h2-4,12H,1H3,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.32 | QSARToolbox | 0 » -1 |
| 7.96 | QSARToolbox | -1 » -2 |