Molecule ID: mol35629

SMILES: CCN(CC)CC(=O)Nc1c(C)cc(F)cc1C

InChI: InChI=1S/C14H21FN2O/c1-5-17(6-2)9-13(18)16-14-10(3)7-12(15)8-11(14)4/h7-8H,5-6,9H2,1-4H3,(H,16,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.78 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization