Molecule ID: mol1105

SMILES: CN(C)c1ccc([N+](C)(C)C)cc1

InChI: InChI=1S/C11H19N2/c1-12(2)10-6-8-11(9-7-10)13(3,4)5/h6-9H,1-5H3/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.34 AttenGpKa training set 2 » 1
2.64 IUPAC digitized pKa 2 » 1
2.64 Datawarrior 2 » 1
2.64 Hunt 2 » 1
2.64 OCHEM 2 » 1
2.64 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization