Molecule ID: mol38068

SMILES: OC(CSc1cccc(C(F)(F)F)c1)(CSc1cccc(C(F)(F)F)c1)c1ccccn1

InChI: InChI=1S/C22H17F6NOS2/c23-21(24,25)15-5-3-7-17(11-15)31-13-20(30,19-9-1-2-10-29-19)14-32-18-8-4-6-16(12-18)22(26,27)28/h1-12,30H,13-14H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.98 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization