Molecule ID: mol26689

SMILES: Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12

InChI: InChI=1S/C13H9N3O2/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16(17)18/h1-7H,(H2,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization