Molecule ID: mol35871

SMILES: CCOC(=O)/C=C1\SC(=O)C(O)=C1C(=O)OCC

InChI: InChI=1S/C11H12O6S/c1-3-16-7(12)5-6-8(10(14)17-4-2)9(13)11(15)18-6/h5,13H,3-4H2,1-2H3/b6-5-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization