Molecule ID: mol18282

SMILES: CCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C23H23N3O4S/c1-4-30-20-11-7-9-17-22(16-8-5-6-10-18(16)24-23(17)20)25-19-13-12-15(14-21(19)29-2)26-31(3,27)28/h5-14,26H,4H2,1-3H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization