Molecule ID: mol30575

SMILES: COc1c(C)c(O)cc(C)c1O

InChI: InChI=1S/C9H12O3/c1-5-4-7(10)6(2)9(12-3)8(5)11/h4,10-11H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization