Molecule ID: mol24654

SMILES: CCCCCN1CCN(c2ncccn2)CC1

InChI: InChI=1S/C13H22N4/c1-2-3-4-8-16-9-11-17(12-10-16)13-14-6-5-7-15-13/h5-7H,2-4,8-12H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization