Molecule ID: mol23390

SMILES: CC(C)(C)c1cccc(CC(=O)O)c1

InChI: InChI=1S/C12H16O2/c1-12(2,3)10-6-4-5-9(7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization