Molecule ID: mol12429

SMILES: CCCn1cncn1

InChI: InChI=1S/C5H9N3/c1-2-3-8-5-6-4-7-8/h4-5H,2-3H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization