Molecule ID: mol19399

SMILES: CNC(=O)COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1

InChI: InChI=1S/C24H24N4O5S/c1-25-23(29)14-33-16-9-10-18-21(13-16)26-19-7-5-4-6-17(19)24(18)27-20-11-8-15(12-22(20)32-2)28-34(3,30)31/h4-13,28H,14H2,1-3H3,(H,25,29)(H,26,27)

Experimental Macro pKa Values

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