Molecule ID: mol30345

SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C17H11N5O8/c1-9-14(17(24)19(18-9)10-5-3-2-4-6-10)16(23)15-12(21(27)28)7-11(20(25)26)8-13(15)22(29)30/h2-8,14H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization