Molecule ID: mol12691

SMILES: COCCNc1ccc(Cl)cc1

InChI: InChI=1S/C9H12ClNO/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization