Molecule ID: mol26459

SMILES: Cn1cc2cc([N+](=O)[O-])ccc2n1

InChI: InChI=1S/C8H7N3O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9-10/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization