Molecule ID: mol27229

SMILES: O=C(NCO)c1cccc(Cl)c1

InChI: InChI=1S/C8H8ClNO2/c9-7-3-1-2-6(4-7)8(12)10-5-11/h1-4,11H,5H2,(H,10,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
13.02 AttenGpKa training set -1 » -2
13.02 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization