Molecule ID: mol21654

SMILES: Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl

InChI: InChI=1S/C18H12Cl2FN5O3S2/c1-26-14(4-5-23-26)11-6-10(19)2-3-15(11)29-16-8-13(21)17(7-12(16)20)31(27,28)25-18-24-22-9-30-18/h2-9H,1H3,(H,24,25)

Experimental Macro pKa Values

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