Molecule ID: mol23753

SMILES: Nc1cccc([N+](=O)[O-])c1O

InChI: InChI=1S/C6H6N2O3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H,7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization