Molecule ID: mol23344

SMILES: Cc1ccccc1NC(C)C(=O)O

InChI: InChI=1S/C10H13NO2/c1-7-5-3-4-6-9(7)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization