Molecule ID: mol30783

SMILES: COc1ccc(NC(=O)c2ccc(O)cc2)cc1

InChI: InChI=1S/C14H13NO3/c1-18-13-8-4-11(5-9-13)15-14(17)10-2-6-12(16)7-3-10/h2-9,16H,1H3,(H,15,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization