Molecule ID: mol9161

SMILES: Cn1c(=O)nc[nH]c1=O

InChI: InChI=1S/C4H5N3O2/c1-7-3(8)5-2-6-4(7)9/h2H,1H3,(H,5,6,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization