Molecule ID: mol25829

SMILES: CCc1nc(C(C)(C)C)nc(C(C)(C)C)c1C

InChI: InChI=1S/C15H26N2/c1-9-11-10(2)12(14(3,4)5)17-13(16-11)15(6,7)8/h9H2,1-8H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization