Molecule ID: mol11938

SMILES: CCc1cc2c(C)cc(=O)oc2c(C(C)=O)c1O

InChI: InChI=1S/C14H14O4/c1-4-9-6-10-7(2)5-11(16)18-14(10)12(8(3)15)13(9)17/h5-6,17H,4H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.65 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization