Molecule ID: mol35164

SMILES: CCC1(CC)C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O

InChI: InChI=1S/C14H15N3O5/c1-3-14(4-2)11(18)15-13(20)16(12(14)19)9-5-7-10(8-6-9)17(21)22/h5-8H,3-4H2,1-2H3,(H,15,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization