Molecule ID: mol29772

SMILES: COc1cc2c(c(O)c1OC)C(=O)c1cc(O)ccc1C2

InChI: InChI=1S/C16H14O5/c1-20-12-6-9-5-8-3-4-10(17)7-11(8)14(18)13(9)15(19)16(12)21-2/h3-4,6-7,17,19H,5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization