Molecule ID: mol19546

SMILES: NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(Cl)nc1

InChI: InChI=1S/C41H48ClN3O6/c42-37-19-18-32(24-45-37)28-48-38-36(29-46-22-11-3-10-21-43)51-41(47-23-20-33-25-44-35-17-9-8-16-34(33)35)40(50-27-31-14-6-2-7-15-31)39(38)49-26-30-12-4-1-5-13-30/h1-2,4-9,12-19,24-25,36,38-41,44H,3,10-11,20-23,26-29,43H2/t36-,38-,39+,40-,41-/m1/s1

Experimental Macro pKa Values

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