Molecule ID: mol18291

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12

InChI: InChI=1S/C21H18ClN3O3S/c1-28-20-12-14(25-29(2,26)27)8-10-18(20)24-21-15-5-3-4-6-17(15)23-19-11-13(22)7-9-16(19)21/h3-12,25H,1-2H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization