Molecule ID: mol36130

SMILES: O=C(O)CN(CC(=O)O)Cc1ccc(-c2cccc3cccc(-c4ccc(CN(CC(=O)O)CC(=O)O)cc4)c23)cc1

InChI: InChI=1S/C32H30N2O8/c35-28(36)17-33(18-29(37)38)15-21-7-11-23(12-8-21)26-5-1-3-25-4-2-6-27(32(25)26)24-13-9-22(10-14-24)16-34(19-30(39)40)20-31(41)42/h1-14H,15-20H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

Experimental Macro pKa Values

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