Molecule ID: mol36619

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

InChI: InChI=1S/C12H18O6/c1-11(9(15)16)5-4-6-12(2,10(17)18-3)7(11)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)/t7-,11+,12-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.99 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization