Molecule ID: mol21394

SMILES: O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC1CCC1

InChI: InChI=1S/C26H31FN4O2/c27-22-11-12-23(28-24(22)17-29-13-2-1-3-14-29)21-9-7-20(8-10-21)15-30-18-25(32)31(26(30)33)16-19-5-4-6-19/h7-12,19H,1-6,13-18H2

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