Molecule ID: mol18295

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N(C)C)cccc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization