Molecule ID: mol14255

SMILES: NCC(O)c1ccc(Cl)cc1

InChI: InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization