Molecule ID: mol16855

SMILES: COc1ccc(Oc2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1

InChI: InChI=1S/C27H29N3O4/c1-32-20-7-9-21(10-8-20)34-22-11-12-23-24(13-16-30-25(23)17-22)29-15-4-14-28-18-19-5-3-6-26(33-2)27(19)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
9.28 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization