Molecule ID: mol16577

SMILES: CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

InChI: InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.58 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization