Molecule ID: mol859

SMILES: CCN(CCCl)CCCl

InChI: InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.55 IUPAC digitized pKa 1 » 0
6.55 OCHEM 1 » 0
6.55 Hunt 1 » 0
6.55 AttenGpKa training set 1 » 0
6.57 Organic Oxygen Acids and Nitrogen Bases 1 » 0
6.57 OCHEM 1 » 0
6.57 OCHEM 1 » 0
6.67 OCHEM 1 » 0
6.78 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization