Molecule ID: mol184

SMILES: C1CCNCC1

InChI: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.19 IUPAC digitized pKa 1 » 0
10.38 IUPAC digitized pKa 1 » 0
10.53 IUPAC digitized pKa 1 » 0
10.67 IUPAC digitized pKa 1 » 0
10.76 IUPAC digitized pKa 1 » 0
10.82 IUPAC digitized pKa 1 » 0
10.92 IUPAC digitized pKa 1 » 0
10.97 IUPAC digitized pKa 1 » 0
10.98 IUPAC digitized pKa 1 » 0
11.06 IUPAC digitized pKa 1 » 0
11.07 IUPAC digitized pKa 1 » 0
11.10 OCHEM 1 » 0
11.10 OCHEM 1 » 0
11.10 Hunt 1 » 0
11.10 Baltruschat ChEMBL 1 » 0
11.10 Settimo 1 » 0
11.11 IUPAC digitized pKa 1 » 0
11.11 IUPAC digitized pKa 1 » 0
11.12 OCHEM 1 » 0
11.12 OCHEM 1 » 0
11.12 OCHEM 1 » 0
11.12 IUPAC digitized pKa 1 » 0
11.12 OCHEM 1 » 0
11.12 OCHEM 1 » 0
11.17 AttenGpKa training set 1 » 0
11.20 IUPAC digitized pKa 1 » 0
11.20 Baltruschat ChEMBL 1 » 0
11.22 IUPAC digitized pKa 1 » 0
11.24 Datawarrior 1 » 0
11.24 OCHEM 1 » 0
11.28 IUPAC digitized pKa 1 » 0
11.28 Organic Oxygen Acids and Nitrogen Bases 1 » 0
11.28 OCHEM 1 » 0
11.28 OCHEM 1 » 0
11.38 IUPAC digitized pKa 1 » 0
11.44 IUPAC digitized pKa 1 » 0
11.61 IUPAC digitized pKa 1 » 0
11.79 IUPAC digitized pKa 1 » 0
11.93 IUPAC digitized pKa 1 » 0
11.96 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization