Molecule ID: mol1210

SMILES: Nc1cc([N+](=O)[O-])c2ccccc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization