Molecule ID: mol13108

SMILES: CCNCC#CCNCC

InChI: InChI=1S/C8H16N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-4,7-8H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.32 QSARToolbox 2 » 1
8.32 OCHEM 2 » 1
8.32 Datawarrior 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization