Molecule ID: mol37504
SMILES: O=S(=O)(O)c1cc(O)c(C=Nc2ccc(Br)cc2)c2ccccc12
InChI: InChI=1S/C17H12BrNO4S/c18-11-5-7-12(8-6-11)19-10-15-13-3-1-2-4-14(13)17(9-16(15)20)24(21,22)23/h1-10,20H,(H,21,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | QSARToolbox | -1 » -2 |
| 11.00 | QSARToolbox | -1 » -2 |