Molecule ID: mol16941

SMILES: CCC(CC)c1ccc2c(NCCCNCc3ccco3)ccnc2c1

InChI: InChI=1S/C22H29N3O/c1-3-17(4-2)18-8-9-20-21(10-13-25-22(20)15-18)24-12-6-11-23-16-19-7-5-14-26-19/h5,7-10,13-15,17,23H,3-4,6,11-12,16H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization