Molecule ID: mol29632

SMILES: Cc1ccccc1CN1CCN(CCO)CC1

InChI: InChI=1S/C14H22N2O/c1-13-4-2-3-5-14(13)12-16-8-6-15(7-9-16)10-11-17/h2-5,17H,6-12H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization