Molecule ID: mol16924

SMILES: CC(C)CCc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1

InChI: InChI=1S/C25H31N3O2/c1-18(2)4-5-19-6-8-21-22(10-13-28-23(21)14-19)27-12-3-11-26-16-20-7-9-24-25(15-20)30-17-29-24/h6-10,13-15,18,26H,3-5,11-12,16-17H2,1-2H3,(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