Molecule ID: mol19644

SMILES: COc1cccc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

InChI: InChI=1S/C27H29FN4O5S/c1-17-11-12-20(14-21(17)28)38(35,36)31-25-24-22(9-6-10-23(24)37-4)32(30-25)16-19-8-5-7-18(13-19)15-29-26(33)27(2,3)34/h5-14,34H,15-16H2,1-4H3,(H,29,33)(H,30,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.26 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization