Molecule ID: mol9766

SMILES: CC(C)c1n[nH]c(=O)[nH]c1=O

InChI: InChI=1S/C6H9N3O2/c1-3(2)4-5(10)7-6(11)9-8-4/h3H,1-2H3,(H2,7,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization