Molecule ID: mol6703

SMILES: CC(=O)N1CCNC1=N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization