Molecule ID: mol25844

SMILES: CCCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CCC

InChI: InChI=1S/C19H34N2/c1-9-11-13-15-14(12-10-2)16(18(3,4)5)21-17(20-15)19(6,7)8/h9-13H2,1-8H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization