Molecule ID: mol16906

SMILES: CCC(CC)c1ccc2c(NCCCNCc3cccc(OC)c3O)ccnc2c1

InChI: InChI=1S/C25H33N3O2/c1-4-18(5-2)19-10-11-21-22(12-15-28-23(21)16-19)27-14-7-13-26-17-20-8-6-9-24(30-3)25(20)29/h6,8-12,15-16,18,26,29H,4-5,7,13-14,17H2,1-3H3,(H,27,28)

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