Molecule ID: mol20361

SMILES: NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCO)CN2

InChI: InChI=1S/C8H12N2O5S3/c9-18(14,15)7-3-6-8(16-7)17(12,13)5(1-2-11)4-10-6/h3,5,10-11H,1-2,4H2,(H2,9,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization