Molecule ID: mol20347

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

InChI: InChI=1S/C24H27F2N3O2/c1-17-20(21-4-2-3-5-22(21)27-17)12-14-29(15-13-23(25)26)16-19-8-6-18(7-9-19)10-11-24(30)28-31/h2-11,23,27,31H,12-16H2,1H3,(H,28,30)/b11-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization