Molecule ID: mol27173

SMILES: Cn1c(=O)[nH]c(=O)n1C

InChI: InChI=1S/C4H7N3O2/c1-6-3(8)5-4(9)7(6)2/h1-2H3,(H,5,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization