Molecule ID: mol29652

SMILES: COc1ccccc1N1CCN(CCC#N)CC1

InChI: InChI=1S/C14H19N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,8-12H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization