Molecule ID: mol25549

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

InChI: InChI=1S/C12H15N3O2/c1-3-16-11-13-12(17-4-2)15(14-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.55 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization