Molecule ID: mol15165

SMILES: O=[N+]([O-])c1cccc2c[n+](CCCO)ccc12

InChI: InChI=1S/C12H13N2O3/c15-8-2-6-13-7-5-11-10(9-13)3-1-4-12(11)14(16)17/h1,3-5,7,9,15H,2,6,8H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization