Molecule ID: mol25379

SMILES: COc1nc([N+](=O)[O-])cn1C

InChI: InChI=1S/C5H7N3O3/c1-7-3-4(8(9)10)6-5(7)11-2/h3H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.44 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization