Molecule ID: mol21572

SMILES: CCCN1CCN(c2ccccc2C)CC1

InChI: InChI=1S/C14H22N2/c1-3-8-15-9-11-16(12-10-15)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization