Molecule ID: mol30579

SMILES: CC(=O)c1ccc(Cl)cc1O

InChI: InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization