Molecule ID: mol31176

SMILES: NC(=O)/C=C(\O)c1ccccc1

InChI: InChI=1S/C9H9NO2/c10-9(12)6-8(11)7-4-2-1-3-5-7/h1-6,11H,(H2,10,12)/b8-6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization