Molecule ID: mol30608

SMILES: CC1=CC(=O)C(C(C)C)=C(O)C1=O

InChI: InChI=1S/C10H12O3/c1-5(2)8-7(11)4-6(3)9(12)10(8)13/h4-5,13H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization