Molecule ID: mol16912

SMILES: c1ccc(CCc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C28H29N3O2/c1-2-5-21(6-3-1)7-8-22-9-11-24-25(13-16-31-26(24)17-22)30-15-4-14-29-19-23-10-12-27-28(18-23)33-20-32-27/h1-3,5-6,9-13,16-18,29H,4,7-8,14-15,19-20H2,(H,30,31)

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