Molecule ID: mol16950

SMILES: CC(C)CCc1ccc2c(NCCCNCc3ccco3)ccnc2c1

InChI: InChI=1S/C22H29N3O/c1-17(2)6-7-18-8-9-20-21(10-13-25-22(20)15-18)24-12-4-11-23-16-19-5-3-14-26-19/h3,5,8-10,13-15,17,23H,4,6-7,11-12,16H2,1-2H3,(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