Molecule ID: mol16923

SMILES: CCC(CC)c1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1

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