Molecule ID: mol17976

SMILES: O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)cccc2c1

InChI: InChI=1S/C19H11BrF3N3O2S2/c20-17-9-12(19(21,22)23)4-6-16(17)15-3-1-2-11-8-13(5-7-14(11)15)30(27,28)26-18-24-10-25-29-18/h1-10H,(H,24,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.60 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization