Molecule ID: mol6986

SMILES: C=CCNc1ncccn1

InChI: InChI=1S/C7H9N3/c1-2-4-8-7-9-5-3-6-10-7/h2-3,5-6H,1,4H2,(H,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.52 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization