Molecule ID: mol17792

SMILES: COC(=O)Nc1cc(Cl)ccc1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
15.54 OCHEM -1 » -2
15.54 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization