Molecule ID: mol20344

SMILES: Cc1[nH]c2ccccc2c1CCN(Cc1ccc(/C=C/C(=O)NO)cc1)CC(F)F

InChI: InChI=1S/C23H25F2N3O2/c1-16-19(20-4-2-3-5-21(20)26-16)12-13-28(15-22(24)25)14-18-8-6-17(7-9-18)10-11-23(29)27-30/h2-11,22,26,30H,12-15H2,1H3,(H,27,29)/b11-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization