Molecule ID: mol1207

SMILES: Nc1cccc2ccc([N+](=O)[O-])cc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization