Molecule ID: mol36448

SMILES: CN1C(=O)C(CCCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O

InChI: InChI=1S/C15H17N3O5/c1-16-13(19)12(14(20)17(2)15(16)21)5-3-4-10-6-8-11(9-7-10)18(22)23/h6-9,12H,3-5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization