Molecule ID: mol12678

SMILES: OCCCCCc1cccnc1

InChI: InChI=1S/C10H15NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h4,6-7,9,12H,1-3,5,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization