Molecule ID: mol13523

SMILES: CCN(CC)/N=C(\C)N

InChI: InChI=1S/C6H15N3/c1-4-9(5-2)8-6(3)7/h4-5H2,1-3H3,(H2,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization