Molecule ID: mol36499

SMILES: CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CN(CCN2CCCN(C)CCCNCc3ccc4ccc5ccc(nc5c4n3)C2)CCC1

InChI: InChI=1S/C44H56N10/c1-51-21-3-19-45-29-37-15-11-33-7-9-35-13-17-39(49-43(35)41(33)47-37)31-53(25-5-23-51)27-28-54-26-6-24-52(2)22-4-20-46-30-38-16-12-34-8-10-36-14-18-40(32-54)50-44(36)42(34)48-38/h7-18,45-46H,3-6,19-32H2,1-2H3

Experimental Macro pKa Values

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