Molecule ID: mol16502

SMILES: NS(=O)(=O)c1cc2c(s1)CC(O)CS2(=O)=O

InChI: InChI=1S/C7H9NO5S3/c8-16(12,13)7-2-6-5(14-7)1-4(9)3-15(6,10)11/h2,4,9H,1,3H2,(H2,8,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization