Molecule ID: mol20637

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

InChI: InChI=1S/C15H10F7N3O2S2/c16-13(17,14(18,19)15(20,21)22)7-27-9-1-2-23-8(3-9)6-29(26)12-24-10-4-28-5-11(10)25-12/h1-5H,6-7H2,(H,24,25)

Experimental Macro pKa Values

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