Molecule ID: mol33701

SMILES: COc1ncncc1-c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C11H9N3O3/c1-17-11-10(6-12-7-13-11)8-2-4-9(5-3-8)14(15)16/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 OCHEM 1 » 0
2.40 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization