Molecule ID: mol21396

SMILES: O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1C1CC1

InChI: InChI=1S/C24H27FN4O2/c25-20-10-11-21(26-22(20)15-27-12-2-1-3-13-27)18-6-4-17(5-7-18)14-28-16-23(30)29(24(28)31)19-8-9-19/h4-7,10-11,19H,1-3,8-9,12-16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization