Molecule ID: mol6838

SMILES: CCc1n[nH]c(CC)c1C

InChI: InChI=1S/C8H14N2/c1-4-7-6(3)8(5-2)10-9-7/h4-5H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization