Molecule ID: mol18619

SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C22H21N3O2S/c1-2-15-28(26,27)25-17-13-11-16(12-14-17)23-22-18-7-3-5-9-20(18)24-21-10-6-4-8-19(21)22/h3-14,25H,2,15H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization