Molecule ID: mol23459

SMILES: CC(=O)N(CC(=O)O)c1ccccc1C

InChI: InChI=1S/C11H13NO3/c1-8-5-3-4-6-10(8)12(9(2)13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization