Molecule ID: mol3804

SMILES: C[N+]1(Cc2cccnc2)CCCC1

InChI: InChI=1S/C11H17N2/c1-13(7-2-3-8-13)10-11-5-4-6-12-9-11/h4-6,9H,2-3,7-8,10H2,1H3/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.07 IUPAC digitized pKa 2 » 1
3.13 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization