Molecule ID: mol35010

SMILES: CC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1

InChI: InChI=1S/C12H15NO3/c1-12(2,3)11(16)13-9-6-4-8(5-7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization