Molecule ID: mol17187

SMILES: O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F

InChI: InChI=1S/C20H11ClF4N4O3S2/c21-14-6-18(34(30,31)29-19-9-33-10-26-19)15(22)7-17(14)32-16-2-1-12(20(23,24)25)5-13(16)11-3-4-27-28-8-11/h1-10,29H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.60 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization