Molecule ID: mol19908

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(CO)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C23H29N3O5/c1-29-21-8-3-16(11-22(21)30-2)9-10-24-13-19(28)15-31-20-6-4-17(5-7-20)23-25-12-18(14-27)26-23/h3-8,11-12,19,24,27-28H,9-10,13-15H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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