Molecule ID: mol9393

SMILES: CCc1n[nH]c(=O)[nH]c1=O

InChI: InChI=1S/C5H7N3O2/c1-2-3-4(9)6-5(10)8-7-3/h2H2,1H3,(H2,6,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization