Molecule ID: mol31428

SMILES: O=C(NO)c1nc[nH]c1C(=O)NO

InChI: InChI=1S/C5H6N4O4/c10-4(8-12)2-3(5(11)9-13)7-1-6-2/h1,12-13H,(H,6,7)(H,8,10)(H,9,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.80 AttenGpKa training set -1 » -2
8.80 QSARToolbox -1 » -2
10.80 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization