Molecule ID: mol27165

SMILES: CONC(=O)C(C)N

InChI: InChI=1S/C4H10N2O2/c1-3(5)4(7)6-8-2/h3H,5H2,1-2H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization