Molecule ID: mol9389

SMILES: Cc1nn(C)c(=O)[nH]c1=O

InChI: InChI=1S/C5H7N3O2/c1-3-4(9)6-5(10)8(2)7-3/h1-2H3,(H,6,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization