Molecule ID: mol30279

SMILES: Cc1ccccc1COCC1CN=C(N)O1

InChI: InChI=1S/C12H16N2O2/c1-9-4-2-3-5-10(9)7-15-8-11-6-14-12(13)16-11/h2-5,11H,6-8H2,1H3,(H2,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization