Molecule ID: mol30265

SMILES: CN1C(=O)Oc2ccc(Cl)cc21

InChI: InChI=1S/C8H6ClNO2/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization