Molecule ID: mol6900

SMILES: CCc1n[nH]c(C)c1C

InChI: InChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h4H2,1-3H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization