Molecule ID: mol23786

SMILES: CCc1cccc([N+](=O)[O-])c1N

InChI: InChI=1S/C8H10N2O2/c1-2-6-4-3-5-7(8(6)9)10(11)12/h3-5H,2,9H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization