Molecule ID: mol9206

SMILES: O=C1CCCN1

InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.37 AttenGpKa training set 1 » 0
14.70 QSARToolbox 0 » -1
14.70 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization