Molecule ID: mol20360

SMILES: NS(=O)(=O)c1cc2c(s1)SC(CC(=O)O)C(=O)N2

InChI: InChI=1S/C8H8N2O5S3/c9-18(14,15)6-1-3-8(17-6)16-4(2-5(11)12)7(13)10-3/h1,4H,2H2,(H,10,13)(H,11,12)(H2,9,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization