Molecule ID: mol25180

SMILES: COc1cc(C)[n+](O)c(C)c1

InChI: InChI=1S/C8H12NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization