Molecule ID: mol11889

SMILES: C=C(C)CC1(CC(C)CC)C(=O)NC(=O)NC1=O

InChI: InChI=1S/C13H20N2O3/c1-5-9(4)7-13(6-8(2)3)10(16)14-12(18)15-11(13)17/h9H,2,5-7H2,1,3-4H3,(H2,14,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization