Molecule ID: mol1213

SMILES: Nc1ccc2cccc([N+](=O)[O-])c2c1

InChI: InChI=1S/C10H8N2O2/c11-8-5-4-7-2-1-3-10(12(13)14)9(7)6-8/h1-6H,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization