Molecule ID: mol32162
SMILES: Cc1cccc(S(=O)(=O)Oc2cccc(OCCc3ccc(CN)cc3)c2)c1
InChI: InChI=1S/C22H23NO4S/c1-17-4-2-7-22(14-17)28(24,25)27-21-6-3-5-20(15-21)26-13-12-18-8-10-19(16-23)11-9-18/h2-11,14-15H,12-13,16,23H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |