Molecule ID: mol23878

SMILES: Nc1cc(OCCO)ccc1[N+](=O)[O-]

InChI: InChI=1S/C8H10N2O4/c9-7-5-6(14-4-3-11)1-2-8(7)10(12)13/h1-2,5,11H,3-4,9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.62 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization