Molecule ID: mol3873

SMILES: CCCCN1CCCC1C

InChI: InChI=1S/C9H19N/c1-3-4-7-10-8-5-6-9(10)2/h9H,3-8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization