Molecule ID: mol25368

SMILES: Cc1n[nH]c(C)c1C(C)(C)C

InChI: InChI=1S/C9H16N2/c1-6-8(9(3,4)5)7(2)11-10-6/h1-5H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization