Molecule ID: mol31802

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

InChI: InChI=1S/C12H18N2O3/c1-7(2)5-6-12(8(3)4)9(15)13-11(17)14-10(12)16/h5,8H,6H2,1-4H3,(H2,13,14,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization