Molecule ID: mol16856

SMILES: COc1ccccc1Oc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1

InChI: InChI=1S/C27H27N3O4/c1-31-24-5-2-3-6-26(24)34-20-8-9-21-22(11-14-30-23(21)16-20)29-13-4-12-28-17-19-7-10-25-27(15-19)33-18-32-25/h2-3,5-11,14-16,28H,4,12-13,17-18H2,1H3,(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