Molecule ID: mol20778

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2nn(C)cc2C1

InChI: InChI=1S/C24H29N5O4S/c1-17-8-10-22(27-34(32,33)16-18-6-4-3-5-7-18)24(31)29(17)15-23(30)25-13-19-9-11-21-20(12-19)14-28(2)26-21/h3-8,10,14,19,27H,9,11-13,15-16H2,1-2H3,(H,25,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization