Molecule ID: mol26270

SMILES: COC1NC=Nc2cccc([N+](=O)[O-])c21

InChI: InChI=1S/C9H9N3O3/c1-15-9-8-6(10-5-11-9)3-2-4-7(8)12(13)14/h2-5,9H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization