Molecule ID: mol24644

SMILES: CCCCN1CCN(c2ncccn2)CC1

InChI: InChI=1S/C12H20N4/c1-2-3-7-15-8-10-16(11-9-15)12-13-5-4-6-14-12/h4-6H,2-3,7-11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization