Molecule ID: mol36986

SMILES: ON=C(O)C(=NO)c1ccccc1

InChI: InChI=1S/C8H8N2O3/c11-8(10-13)7(9-12)6-4-2-1-3-5-6/h1-5,12-13H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.68 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization