Molecule ID: mol37219

SMILES: CC(C)CC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

InChI: InChI=1S/C13H15N3O7/c1-7(2)3-11(13(18)19)14-12(17)8-4-9(15(20)21)6-10(5-8)16(22)23/h4-7,11H,3H2,1-2H3,(H,14,17)(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization