Molecule ID: mol35165

SMILES: CCC1(CC)C(=O)NC(=O)N(Cc2ccc(Cl)cc2)C1=O

InChI: InChI=1S/C15H17ClN2O3/c1-3-15(4-2)12(19)17-14(21)18(13(15)20)9-10-5-7-11(16)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,17,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization