Molecule ID: mol36173

SMILES: O=C(O)CN1CCOCCOCCN(CC(=O)O)CC(=O)N(Cc2ccccc2)CCN(Cc2ccccc2)C(=O)C1

InChI: InChI=1S/C30H40N4O8/c35-27-21-31(23-29(37)38)13-15-41-17-18-42-16-14-32(24-30(39)40)22-28(36)34(20-26-9-5-2-6-10-26)12-11-33(27)19-25-7-3-1-4-8-25/h1-10H,11-24H2,(H,37,38)(H,39,40)

Experimental Macro pKa Values

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