Molecule ID: mol30626

SMILES: C/C=C/COC(=O)c1ccc(O)cc1

InChI: InChI=1S/C11H12O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h2-7,12H,8H2,1H3/b3-2+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization