Molecule ID: mol14243

SMILES: OCCCCc1ccccn1

InChI: InChI=1S/C9H13NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,2,4,6,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization