Molecule ID: mol13303

SMILES: O=CNOC(=O)/C=C/c1ccccc1

InChI: InChI=1S/C10H9NO3/c12-8-11-14-10(13)7-6-9-4-2-1-3-5-9/h1-8H,(H,11,12)/b7-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization