Molecule ID: mol27982

SMILES: c1ccc(C(=NCCCN2CCOCC2)c2ccccc2)cc1

InChI: InChI=1S/C20H24N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)21-12-7-13-22-14-16-23-17-15-22/h1-6,8-11H,7,12-17H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization