Molecule ID: mol18400

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

InChI: InChI=1S/C23H21ClN4O4S/c1-25-23(29)17-6-4-5-16-21(15-9-7-13(24)11-19(15)27-22(16)17)26-18-10-8-14(12-20(18)32-2)28-33(3,30)31/h4-12,28H,1-3H3,(H,25,29)(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization