Molecule ID: mol6894

SMILES: CCOc1c(C)c(C)nn1-c1ccccc1

InChI: InChI=1S/C13H16N2O/c1-4-16-13-10(2)11(3)14-15(13)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization