Molecule ID: mol16952

SMILES: CC(C)Cc1ccc2c(NCCCNCc3ccco3)ccnc2c1

InChI: InChI=1S/C21H27N3O/c1-16(2)13-17-6-7-19-20(8-11-24-21(19)14-17)23-10-4-9-22-15-18-5-3-12-25-18/h3,5-8,11-12,14,16,22H,4,9-10,13,15H2,1-2H3,(H,23,24)

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