Molecule ID: mol37626

SMILES: O=C(O)C[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H]1[C@H]3CC[C@H](C3)[C@@H]21

InChI: InChI=1S/C15H20O4/c16-11(17)5-9-8-4-10(14(9)15(18)19)13-7-2-1-6(3-7)12(8)13/h6-10,12-14H,1-5H2,(H,16,17)(H,18,19)/t6-,7+,8+,9-,10+,12+,13-,14-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.45 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization