Molecule ID: mol16641

SMILES: COCCOCCN(CCOCCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1

InChI: InChI=1S/C17H28N2O6S3/c1-22-7-9-24-5-3-19(4-6-25-10-8-23-2)13-15-11-14-12-16(28(18,20)21)27-17(14)26-15/h11-12H,3-10,13H2,1-2H3,(H2,18,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization