Molecule ID: mol25298

SMILES: CCc1nc[nH]c1CC

InChI: InChI=1S/C7H12N2/c1-3-6-7(4-2)9-5-8-6/h5H,3-4H2,1-2H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization