Molecule ID: mol36632

SMILES: COC(=O)c1[nH]c(Cc2[nH]c(C(=O)OC)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C

InChI: InChI=1S/C21H26N2O8/c1-10-12(5-7-16(24)25)14(22-18(10)20(28)30-3)9-15-13(6-8-17(26)27)11(2)19(23-15)21(29)31-4/h22-23H,5-9H2,1-4H3,(H,24,25)(H,26,27)

Experimental Macro pKa Values

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