Molecule ID: mol31586

SMILES: COC(=O)c1ccc(/C=N/O)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization