Molecule ID: mol15586
SMILES: CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl
InChI: InChI=1S/C17H17Cl2NO6S/c1-2-25-15(22)9-26-13-5-6-14(17(19)16(13)18)27(23,24)11-3-4-12(21)10(7-11)8-20/h3-7,21H,2,8-9,20H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.67 | Datawarrior | 1 » 0 |
| 6.67 | Baltruschat ChEMBL | 1 » 0 |
| 6.67 | QSARToolbox | 1 » 0 |
| 6.67 | OCHEM | 1 » 0 |