Molecule ID: mol933

SMILES: NCCCCCCBr

InChI: InChI=1S/C6H14BrN/c7-5-3-1-2-4-6-8/h1-6,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization