Molecule ID: mol25414

SMILES: CC(C)(C)c1cc([N+](=O)[O-])[nH]n1

InChI: InChI=1S/C7H11N3O2/c1-7(2,3)5-4-6(9-8-5)10(11)12/h4H,1-3H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization