Molecule ID: mol16917

SMILES: Fc1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c(Cl)c1

InChI: InChI=1S/C24H23ClFN3O/c25-22-15-19(26)6-5-18(22)13-17-4-7-21-23(8-11-29-24(21)14-17)28-10-2-9-27-16-20-3-1-12-30-20/h1,3-8,11-12,14-15,27H,2,9-10,13,16H2,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization