Molecule ID: mol36142

SMILES: O=C(O)CN(CC(=O)O)c1ccccc1OCCCOc1ccccc1N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C23H26N2O10/c26-20(27)12-24(13-21(28)29)16-6-1-3-8-18(16)34-10-5-11-35-19-9-4-2-7-17(19)25(14-22(30)31)15-23(32)33/h1-4,6-9H,5,10-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)

Experimental Macro pKa Values

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