Molecule ID: mol24269

SMILES: CC(C)(C)c1cccc(CN)c1

InChI: InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-7H,8,12H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization