Molecule ID: mol30616

SMILES: Cc1cc(O)c(C(C)C)c(O)c1O

InChI: InChI=1S/C10H14O3/c1-5(2)8-7(11)4-6(3)9(12)10(8)13/h4-5,11-13H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.20 AttenGpKa training set 0 » -1
12.90 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization