Molecule ID: mol35243

SMILES: NCC(=O)Nc1ccc(Cl)cc1

InChI: InChI=1S/C8H9ClN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.29 QSARToolbox 1 » 0
8.52 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization