Molecule ID: mol16877

SMILES: COc1ccc(-c2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C27H27N3O3/c1-31-22-7-4-20(5-8-22)21-6-9-23-24(11-14-30-25(23)16-21)29-13-2-12-28-17-19-3-10-26-27(15-19)33-18-32-26/h3-11,14-16,28H,2,12-13,17-18H2,1H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization