Molecule ID: mol18197

SMILES: O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1

InChI: InChI=1S/C24H23F2N3O2/c25-19-12-17(13-20(26)14-19)16-31-23-3-1-2-21(15-23)28-24(30)18-6-10-29(11-7-18)22-4-8-27-9-5-22/h1-5,8-9,12-15,18H,6-7,10-11,16H2,(H,28,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization