Molecule ID: mol20348

SMILES: O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)CCC(F)(F)F)cc1)NO

InChI: InChI=1S/C23H24F3N3O2/c24-23(25,26)12-14-29(13-11-19-15-27-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(30)28-31/h1-10,15,27,31H,11-14,16H2,(H,28,30)/b10-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization