Molecule ID: mol20972

SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)s1

InChI: InChI=1S/C7H11NO5S3/c8-16(12,13)7-3-2-6(14-7)15(10,11)5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization