Molecule ID: mol524

SMILES: CC[C@@H](Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)CC)cc1C)C(=O)O

InChI: InChI=1S/C20H21F3O5S/c1-4-17(19(24)25)28-18-9-6-13(20(21,22)23)11-16(18)15-8-7-14(10-12(15)3)29(26,27)5-2/h6-11,17H,4-5H2,1-3H3,(H,24,25)/t17-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.40 Hunt 0 » -1
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Charge States and Microspecies Visualization