Molecule ID: mol12519

SMILES: CC(=O)c1cc(C)c(C)cc1O

InChI: InChI=1S/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.60 QSARToolbox 0 » -1
11.56 Datawarrior 0 » -1
11.56 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization