Molecule ID: mol21395

SMILES: O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1

InChI: InChI=1S/C25H29FN4O2/c26-21-10-11-22(27-23(21)16-28-12-2-1-3-13-28)20-8-6-18(7-9-20)14-29-17-24(31)30(25(29)32)15-19-4-5-19/h6-11,19H,1-5,12-17H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization