Molecule ID: mol5761
SMILES: O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChI: InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | QSARToolbox | 0 » -1 |
| 7.57 | QSARToolbox | 0 » -1 |
| 7.58 | QSARToolbox | 0 » -1 |
| 7.59 | QSARToolbox | 0 » -1 |
| 7.66 | QSARToolbox | 0 » -1 |
| 7.71 | QSARToolbox | 0 » -1 |
| 7.74 | QSARToolbox | 0 » -1 |
| 7.78 | AttenGpKa training set | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |