Molecule ID: mol15867

SMILES: CNCCCN

InChI: InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.66 QSARToolbox 2 » 1
8.66 Datawarrior 2 » 1
10.67 Datawarrior 1 » 0
10.67 OCHEM 1 » 0
10.67 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization