Molecule ID: mol35154

SMILES: CCC1(C2CCCCC2)C(=O)NC(=O)NC1=O

InChI: InChI=1S/C12H18N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h8H,2-7H2,1H3,(H2,13,14,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.32 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization