Molecule ID: mol16871

SMILES: CC(C)(C)c1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C27H31N3O2/c1-27(2,3)20-7-9-21(10-8-20)32-22-11-12-24-25(13-16-30-26(24)18-22)29-15-5-14-28-19-23-6-4-17-31-23/h4,6-13,16-18,28H,5,14-15,19H2,1-3H3,(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