Molecule ID: mol16512

SMILES: NS(=O)(=O)c1cc2c(s1)[S+]([O-])CCC2O

InChI: InChI=1S/C7H9NO4S3/c8-15(11,12)6-3-4-5(9)1-2-14(10)7(4)13-6/h3,5,9H,1-2H2,(H2,8,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization