Molecule ID: mol31612

SMILES: C/C(=N\O)c1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C8H8N2O4/c1-5(9-12)7-4-6(10(13)14)2-3-8(7)11/h2-4,11-12H,1H3/b9-5+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.40 AttenGpKa training set 0 » -1
11.31 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization