Molecule ID: mol20631

SMILES: [O-][S+](Cc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1)c1nc2cscc2[nH]1

InChI: InChI=1S/C19H14F3N3O2S2/c20-19(21,22)13-3-1-12(2-4-13)8-27-15-5-6-23-14(7-15)11-29(26)18-24-16-9-28-10-17(16)25-18/h1-7,9-10H,8,11H2,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.74 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization