Molecule ID: mol18274

SMILES: CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C23H22N4O4S/c1-24-23(28)17-9-6-8-16-21(15-7-4-5-10-18(15)25-22(16)17)26-19-12-11-14(13-20(19)31-2)27-32(3,29)30/h4-13,27H,1-3H3,(H,24,28)(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization