Molecule ID: mol16946

SMILES: Fc1ccc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C27H26FN3O2/c28-22-6-2-19(3-7-22)14-20-4-8-23-24(10-13-31-25(23)15-20)30-12-1-11-29-17-21-5-9-26-27(16-21)33-18-32-26/h2-10,13,15-16,29H,1,11-12,14,17-18H2,(H,30,31)

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