Molecule ID: mol22844

SMILES: COCOc1c(C)cccc1C(=O)O

InChI: InChI=1S/C10H12O4/c1-7-4-3-5-8(10(11)12)9(7)14-6-13-2/h3-5H,6H2,1-2H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization