Molecule ID: mol23441

SMILES: C/C(=C\c1ccc(C(C)C)cc1)C(=O)O

InChI: InChI=1S/C13H16O2/c1-9(2)12-6-4-11(5-7-12)8-10(3)13(14)15/h4-9H,1-3H3,(H,14,15)/b10-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization