Molecule ID: mol22768

SMILES: COCOc1ccccc1C(=O)O

InChI: InChI=1S/C9H10O4/c1-12-6-13-8-5-3-2-4-7(8)9(10)11/h2-5H,6H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization