Molecule ID: mol27977

SMILES: CCN(CC)CCN=C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C19H24N2/c1-3-21(4-2)16-15-20-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization