Molecule ID: mol26870

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

InChI: InChI=1S/C10H11NO2/c1-8(12)11-7-10(13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization