Molecule ID: mol6704

SMILES: CC(=O)N=C1NCCN1

InChI: InChI=1S/C5H9N3O/c1-4(9)8-5-6-2-3-7-5/h2-3H2,1H3,(H2,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization