Molecule ID: mol23385

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

InChI: InChI=1S/C12H16O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization