Molecule ID: mol36152

SMILES: O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)CCN(CC(=O)O)Cc1ccccc1O

InChI: InChI=1S/C24H31N3O8/c28-20-7-3-1-5-18(20)13-26(16-23(32)33)11-9-25(15-22(30)31)10-12-27(17-24(34)35)14-19-6-2-4-8-21(19)29/h1-8,28-29H,9-17H2,(H,30,31)(H,32,33)(H,34,35)

Experimental Macro pKa Values

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