Molecule ID: mol30531

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

InChI: InChI=1S/C8H8O3/c1-4-5(2)8(11)7(10)3-6(4)9/h3,10H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization