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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization