Molecule ID: mol18306

SMILES: COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1

InChI: InChI=1S/C22H21N3O4S/c1-28-15-9-10-17-20(13-15)23-18-7-5-4-6-16(18)22(17)24-19-11-8-14(12-21(19)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 Baltruschat ChEMBL 1 » 0
7.81 OCHEM 1 » 0
7.81 Baltruschat ChEMBL 1 » 0
7.81 Baltruschat ChEMBL 1 » 0
7.81 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization