Molecule ID: mol34635

SMILES: COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O

InChI: InChI=1S/C16H20O5/c1-9-10-6-7-16(2,15(19)20)12(8-14(17)18)11(10)4-5-13(9)21-3/h4-5,12H,6-8H2,1-3H3,(H,17,18)(H,19,20)/t12-,16+/m0/s1

Experimental Macro pKa Values

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