Molecule ID: mol20639

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

InChI: InChI=1S/C14H9F6N3O2S2/c15-13(16,17)11(14(18,19)20)25-8-1-2-21-7(3-8)6-27(24)12-22-9-4-26-5-10(9)23-12/h1-5,11H,6H2,(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization