Molecule ID: mol2436

SMILES: CCN1CCCCC1

InChI: InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.41 AttenGpKa training set 1 » 0
10.45 QSARToolbox 1 » 0
10.45 IUPAC digitized pKa 1 » 0
10.45 OCHEM 1 » 0
10.45 Hunt 1 » 0
10.45 OCHEM 1 » 0
10.68 Datawarrior 1 » 0
10.68 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization