Molecule ID: mol21349

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)c(N)cc23)cc1

InChI: InChI=1S/C20H17ClN4O2S/c1-28(26,27)25-13-8-6-12(7-9-13)23-20-14-4-2-3-5-18(14)24-19-11-16(21)17(22)10-15(19)20/h2-11,25H,22H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization