Molecule ID: mol22731

SMILES: Cc1cc(C(=O)O)c(C)c(C)c1C

InChI: InChI=1S/C11H14O2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5H,1-4H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization