Molecule ID: mol16191
SMILES: CNCCS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12
InChI: InChI=1S/C23H26ClF2NO6S2/c1-27-10-13-34(28,29)12-8-20-17-14-33-22-19(26)7-6-18(25)21(22)23(17,9-11-32-20)35(30,31)16-4-2-15(24)3-5-16/h2-7,17,20,27H,8-14H2,1H3/t17-,20-,23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |