Molecule ID: mol27241

SMILES: O=C(NCO)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C8H8N2O4/c11-5-9-8(12)6-1-3-7(4-2-6)10(13)14/h1-4,11H,5H2,(H,9,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
13.14 AttenGpKa training set -1 » -2
13.14 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization