Molecule ID: mol17975

SMILES: O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3O)cccc2c1

InChI: InChI=1S/C19H12F3N3O3S2/c20-19(21,22)12-4-6-16(17(26)9-12)15-3-1-2-11-8-13(5-7-14(11)15)30(27,28)25-18-23-10-24-29-18/h1-10,26H,(H,23,24,25)

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