Molecule ID: mol16615

SMILES: COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1

InChI: InChI=1S/C13H20N2O4S3/c1-18-5-3-15(4-6-19-2)9-11-7-10-8-12(22(14,16)17)21-13(10)20-11/h7-8H,3-6,9H2,1-2H3,(H2,14,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization