Molecule ID: mol25516

SMILES: CCOc1nc(O)n(-c2ccccc2)n1

InChI: InChI=1S/C10H11N3O2/c1-2-15-9-11-10(14)13(12-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.90 AttenGpKa training set 2 » 1
6.96 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization