Molecule ID: mol31576

SMILES: O/N=C/c1cc(Cl)ccc1O

InChI: InChI=1S/C7H6ClNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization