Molecule ID: mol607

SMILES: CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12

InChI: InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Hunt 0 » -1
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Charge States and Microspecies Visualization