Molecule ID: mol2047

SMILES: CCCCN(CCCC)CCCC

InChI: InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.93 OCHEM 1 » 0
9.93 Hunt 1 » 0
10.49 OCHEM 1 » 0
10.80 Datawarrior 1 » 0
10.80 OCHEM 1 » 0
10.89 Organic Oxygen Acids and Nitrogen Bases 1 » 0
10.89 OCHEM 1 » 0
10.89 OCHEM 1 » 0
10.89 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization