Molecule ID: mol20345

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

InChI: InChI=1S/C22H22F3N3O2/c23-22(24,25)15-28(12-11-18-13-26-20-4-2-1-3-19(18)20)14-17-7-5-16(6-8-17)9-10-21(29)27-30/h1-10,13,26,30H,11-12,14-15H2,(H,27,29)/b10-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization