Molecule ID: mol38498

SMILES: O=C1CC(=O)C(c2ccccc2)N1

InChI: InChI=1S/C10H9NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,11,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.14 QSARToolbox 0 » -1
5.78 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization