Molecule ID: mol16844

SMILES: c1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C26H25N3O3/c1-2-5-20(6-3-1)32-21-8-9-22-23(11-14-29-24(22)16-21)28-13-4-12-27-17-19-7-10-25-26(15-19)31-18-30-25/h1-3,5-11,14-16,27H,4,12-13,17-18H2,(H,28,29)

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