Molecule ID: mol13281

SMILES: CCCCCNCc1ccccc1O

InChI: InChI=1S/C12H19NO/c1-2-3-6-9-13-10-11-7-4-5-8-12(11)14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.65 OCHEM 1 » 0
8.65 Datawarrior 1 » 0
8.65 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization