Molecule ID: mol6705

SMILES: CN=C1NCC(=O)N1C

InChI: InChI=1S/C5H9N3O/c1-6-5-7-3-4(9)8(5)2/h3H2,1-2H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization