Molecule ID: mol1294

SMILES: CC1=CCCCN1

InChI: InChI=1S/C6H11N/c1-6-4-2-3-5-7-6/h4,7H,2-3,5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization