Molecule ID: mol6980

SMILES: CC(=O)Nc1ccncn1

InChI: InChI=1S/C6H7N3O/c1-5(10)9-6-2-3-7-4-8-6/h2-4H,1H3,(H,7,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization