Molecule ID: mol29725

SMILES: CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1

InChI: InChI=1S/C17H21FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-12,19H,3-4,13H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.66 AttenGpKa training set 2 » 1
6.51 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization