Molecule ID: mol23841

SMILES: CNc1c(Cl)cccc1[N+](=O)[O-]

InChI: InChI=1S/C7H7ClN2O2/c1-9-7-5(8)3-2-4-6(7)10(11)12/h2-4,9H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization