Molecule ID: mol26849

SMILES: NC(=O)CC(=O)c1ccccc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization