Molecule ID: mol10706

SMILES: CCOC(=O)C(C)SC(C)C(=O)O

InChI: InChI=1S/C8H14O4S/c1-4-12-8(11)6(3)13-5(2)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization