Molecule ID: mol18277

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

InChI: InChI=1S/C22H21N3O4S/c1-28-19-10-6-8-16-21(15-7-4-5-9-17(15)23-22(16)19)24-18-12-11-14(13-20(18)29-2)25-30(3,26)27/h4-13,25H,1-3H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization