Molecule ID: mol37891

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

InChI: InChI=1S/C5H9NO7S/c1-3(2)13-5(7)4(6(8)9)14(10,11)12/h3-4H,1-2H3,(H,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.38 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization