Molecule ID: mol18273

SMILES: CNC(=O)COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C24H24N4O5S/c1-25-22(29)14-33-20-10-6-8-17-23(16-7-4-5-9-18(16)26-24(17)20)27-19-12-11-15(13-21(19)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 OCHEM 1 » 0
7.35 Baltruschat ChEMBL 1 » 0
7.35 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization