Molecule ID: mol29737

SMILES: c1ccc(CN(c2ccccc2)C2CCNCC2)cc1

InChI: InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-20(17-9-5-2-6-10-17)18-11-13-19-14-12-18/h1-10,18-19H,11-15H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization