Molecule ID: mol31002
SMILES: O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21
InChI: InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | QSARToolbox | 0 » -1 |
| 5.96 | QSARToolbox | 0 » -1 |
| 5.98 | AttenGpKa training set | 0 » -1 |
| 6.07 | QSARToolbox | 0 » -1 |