Molecule ID: mol27172

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

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

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