Molecule ID: mol16886

SMILES: COc1ccc(-c2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1

InChI: InChI=1S/C27H29N3O3/c1-32-22-10-7-19(8-11-22)20-9-12-23-24(13-16-30-25(23)17-20)29-15-4-14-28-18-21-5-3-6-26(33-2)27(21)31/h3,5-13,16-17,28,31H,4,14-15,18H2,1-2H3,(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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization