Molecule ID: mol27981

SMILES: c1ccc(C(=NCCN2CCOCC2)c2ccccc2)cc1

InChI: InChI=1S/C19H22N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)20-11-12-21-13-15-22-16-14-21/h1-10H,11-16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization