Molecule ID: mol27542

SMILES: CONC(=O)Oc1cccc(Cl)c1

InChI: InChI=1S/C8H8ClNO3/c1-12-10-8(11)13-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization