Molecule ID: mol18403

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

InChI: InChI=1S/C24H24N4O5S/c1-25-24(29)18-7-5-6-17-22(16-10-9-15(32-2)13-20(16)27-23(17)18)26-19-11-8-14(12-21(19)33-3)28-34(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
4.82 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization