Molecule ID: mol19550

SMILES: NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccncc1

InChI: InChI=1S/C41H49N3O6/c42-21-10-3-11-24-45-30-37-38(47-29-33-18-22-43-23-19-33)39(48-27-31-12-4-1-5-13-31)40(49-28-32-14-6-2-7-15-32)41(50-37)46-25-20-34-26-44-36-17-9-8-16-35(34)36/h1-2,4-9,12-19,22-23,26,37-41,44H,3,10-11,20-21,24-25,27-30,42H2/t37-,38-,39+,40-,41-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization