Molecule ID: mol30241

SMILES: C[N+]1=CCC(C)(C)C=C1

InChI: InChI=1S/C8H14N/c1-8(2)4-6-9(3)7-5-8/h4,6-7H,5H2,1-3H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization