Molecule ID: mol29955

SMILES: O=C1C2C(C(=O)N1Cc1ccc(F)cc1)C(c1ccccc1)N1CCCC21

InChI: InChI=1S/C22H21FN2O2/c23-16-10-8-14(9-11-16)13-25-21(26)18-17-7-4-12-24(17)20(19(18)22(25)27)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-20H,4,7,12-13H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.87 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization