Molecule ID: mol12258
SMILES: O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
InChI: InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Datawarrior | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |