Molecule ID: mol30339

SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChI: InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization