Molecule ID: mol3578

SMILES: CCC1CCCNC1O

InChI: InChI=1S/C7H15NO/c1-2-6-4-3-5-8-7(6)9/h6-9H,2-5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization