Molecule ID: mol27157

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization