Molecule ID: mol17659

SMILES: COc1ccc(Cn2cc(C(=O)NS(C)(=O)=O)c(=O)c3c(F)ccc(F)c32)cc1

InChI: InChI=1S/C19H16F2N2O5S/c1-28-12-5-3-11(4-6-12)9-23-10-13(19(25)22-29(2,26)27)18(24)16-14(20)7-8-15(21)17(16)23/h3-8,10H,9H2,1-2H3,(H,22,25)

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