Molecule ID: mol18308

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

InChI: InChI=1S/C22H20N4O4S/c1-30-19-12-13(26-31(2,28)29)10-11-18(19)25-20-14-6-3-4-9-17(14)24-21-15(20)7-5-8-16(21)22(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization