Molecule ID: mol28000

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

InChI: InChI=1S/C2H4N2O2/c3-1(4)2(5)6/h(H3,3,4)(H,5,6)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization