Molecule ID: mol31517

SMILES: CC1=C/C(=N/O)C=CC1=O

InChI: InChI=1S/C7H7NO2/c1-5-4-6(8-10)2-3-7(5)9/h2-4,10H,1H3/b8-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization