Molecule ID: mol13900

SMILES: COc1ccc(CN)c([N+](=O)[O-])c1

InChI: InChI=1S/C8H10N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,5,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization