Molecule ID: mol30248

SMILES: C[N+]1=CCCc2ccccc21

InChI: InChI=1S/C10H12N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7-8H,4,6H2,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization