Molecule ID: mol27206

SMILES: CC(=O)c1ccc(C(N)=O)cc1

InChI: InChI=1S/C9H9NO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-5H,1H3,(H2,10,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.08 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization