Molecule ID: mol34779

SMILES: CC(C[S+]([O-])CC(C)C(=O)O)C(=O)O

InChI: InChI=1S/C8H14O5S/c1-5(7(9)10)3-14(13)4-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization