Molecule ID: mol30568

SMILES: CC(C)(C)c1cc(O)ccc1O

InChI: InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization