Molecule ID: mol2383

SMILES: NCCCCCCO

InChI: InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.48 AttenGpKa training set 1 » 0
10.60 IUPAC digitized pKa 1 » 0
10.60 OCHEM 1 » 0
10.60 Hunt 1 » 0
10.60 OCHEM 1 » 0
10.62 Datawarrior 1 » 0
10.62 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization