Molecule ID: mol19649

SMILES: CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(C(C)(C)O)cccc32)c1

InChI: InChI=1S/C24H25ClN4O4S2/c1-15(30)26-13-16-6-4-7-17(12-16)14-29-19-9-5-8-18(24(2,3)31)22(19)23(27-29)28-35(32,33)21-11-10-20(25)34-21/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.46 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization