Molecule ID: mol31518

SMILES: CC1=CC(=O)C=C/C1=N/O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization