Molecule ID: mol21345

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc(C)c12

InChI: InChI=1S/C22H21N3O3S/c1-14-7-6-10-19-21(14)22(16-8-4-5-9-17(16)23-19)24-18-12-11-15(13-20(18)28-2)25-29(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
6.71 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization