Molecule ID: mol26490

SMILES: Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1

InChI: InChI=1S/C8H7N3O3/c1-4-9-6-2-5(11(13)14)3-7(12)8(6)10-4/h2-3,12H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization