Molecule ID: mol31437

SMILES: O=C(NO)c1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C7H6N2O5/c10-6-2-1-4(9(13)14)3-5(6)7(11)8-12/h1-3,10,12H,(H,8,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization