Molecule ID: mol15903

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

InChI: InChI=1S/C2H3NO3/c4-2(5)1-3-6/h1,6H,(H,4,5)/b3-1+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.02 AttenGpKa training set 0 » -1
10.23 QSARToolbox -1 » -2
10.23 Datawarrior -1 » -2
10.23 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization