Molecule ID: mol25492

SMILES: Cc1c(C(C)(C)C)n[nH]c1C(C)(C)C

InChI: InChI=1S/C12H22N2/c1-8-9(11(2,3)4)13-14-10(8)12(5,6)7/h1-7H3,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.23 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization