Molecule ID: mol36620

SMILES: COC(=O)[C@H]1[C@](C)(C(=O)O)CCC[C@]1(C)C(=O)OC

InChI: InChI=1S/C13H20O6/c1-12(10(15)16)6-5-7-13(2,11(17)19-4)8(12)9(14)18-3/h8H,5-7H2,1-4H3,(H,15,16)/t8-,12+,13-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization