Molecule ID: mol27528

SMILES: CONC(=O)Oc1ccccc1

InChI: InChI=1S/C8H9NO3/c1-11-9-8(10)12-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization