Molecule ID: mol25515

SMILES: Cc1nnnn1-c1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C8H7N5O2/c1-6-9-10-11-12(6)7-3-2-4-8(5-7)13(14)15/h2-5H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.77 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization