Molecule ID: mol25837

SMILES: CCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CC

InChI: InChI=1S/C17H30N2/c1-9-11-13-12(10-2)14(16(3,4)5)19-15(18-13)17(6,7)8/h9-11H2,1-8H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization