Molecule ID: mol6886

SMILES: Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C

InChI: InChI=1S/C11H11N3O2/c1-8-7-13(12-9(8)2)10-3-5-11(6-4-10)14(15)16/h3-7H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization