Molecule ID: mol6669

SMILES: CCOC(=O)Cc1c([N+](=O)[O-])ncn1C

InChI: InChI=1S/C8H11N3O4/c1-3-15-7(12)4-6-8(11(13)14)9-5-10(6)2/h5H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.82 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization