Molecule ID: mol31585

SMILES: COC(=O)/C(=N/O)c1ccccc1

InChI: InChI=1S/C9H9NO3/c1-13-9(11)8(10-12)7-5-3-2-4-6-7/h2-6,12H,1H3/b10-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization