Molecule ID: mol31497

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

InChI: InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3/b5-3+,6-4+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.42 AttenGpKa training set -1 » -2
10.52 QSARToolbox -1 » -2
10.60 QSARToolbox -1 » -2
12.05 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization