Molecule ID: mol28121

SMILES: CN/C(=N\c1c(C(C)C)cccc1C(C)C)N(C)C

InChI: InChI=1S/C16H27N3/c1-11(2)13-9-8-10-14(12(3)4)15(13)18-16(17-5)19(6)7/h8-12H,1-7H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization