Molecule ID: mol18406

SMILES: CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(C)cc3nc12

InChI: InChI=1S/C24H24N4O4S/c1-14-8-10-16-20(12-14)27-23-17(6-5-7-18(23)24(29)25-2)22(16)26-19-11-9-15(13-21(19)32-3)28-33(4,30)31/h5-13,28H,1-4H3,(H,25,29)(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization