Molecule ID: mol27158

SMILES: Cn1[nH]c(=O)[nH]c1=O

InChI: InChI=1S/C3H5N3O2/c1-6-3(8)4-2(7)5-6/h1H3,(H2,4,5,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization