Molecule ID: mol15781

SMILES: Oc1ccc(Cl)cc1CN1CCCCC1

InChI: InChI=1S/C12H16ClNO/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization