Molecule ID: mol26516

SMILES: CCOc1nc2cc3ccccc3cc2[nH]1

InChI: InChI=1S/C13H12N2O/c1-2-16-13-14-11-7-9-5-3-4-6-10(9)8-12(11)15-13/h3-8H,2H2,1H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization