Molecule ID: mol36185

SMILES: O=C(O)COCC(COCC(=O)O)(COCC(=O)O)N(Cc1ccccc1)Cc1ccccc1

InChI: InChI=1S/C24H29NO9/c26-21(27)13-32-16-24(17-33-14-22(28)29,18-34-15-23(30)31)25(11-19-7-3-1-4-8-19)12-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,26,27)(H,28,29)(H,30,31)

Experimental Macro pKa Values

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