Molecule ID: mol30574

SMILES: Cc1c(C)c(O)c(O)c(C)c1O

InChI: InChI=1S/C9H12O3/c1-4-5(2)8(11)9(12)6(3)7(4)10/h10-12H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization