Molecule ID: mol38297

SMILES: CN1CCN(C(=O)c2cccc(O)c2O)CCN(C(=O)c2cccc(O)c2O)CCN(C)CCN(C(=O)c2cccc(O)c2O)CCN(C(=O)c2cccc(O)c2O)CC1

InChI: InChI=1S/C42H50N6O12/c1-43-15-19-45(39(57)27-7-3-11-31(49)35(27)53)23-25-47(41(59)29-9-5-13-33(51)37(29)55)21-17-44(2)18-22-48(42(60)30-10-6-14-34(52)38(30)56)26-24-46(20-16-43)40(58)28-8-4-12-32(50)36(28)54/h3-14,49-56H,15-26H2,1-2H3

Experimental Macro pKa Values

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