Molecule ID: mol16868

SMILES: COc1cccc(Oc2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)c1

InChI: InChI=1S/C27H29N3O4/c1-32-20-7-4-8-21(16-20)34-22-10-11-23-24(12-15-30-25(23)17-22)29-14-5-13-28-18-19-6-3-9-26(33-2)27(19)31/h3-4,6-12,15-17,28,31H,5,13-14,18H2,1-2H3,(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