CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 111.5 kcal/mol
Similar DFT-Calculated Bonds
Cc1ccccc1C(N)=O
BDE(DFT): 111.6 kcal/molDistance: 0.00
C=C(C)c1ccccc1Cl
BDE(DFT): 111.6 kcal/molDistance: 0.02
O=C1SCc2ccccc21
BDE(DFT): 111.7 kcal/molDistance: 0.02
CCSc1ccccc1Cl
BDE(DFT): 111.7 kcal/molDistance: 0.03
CSc1ccccc1Cl
BDE(DFT): 111.7 kcal/molDistance: 0.03
Cc1coc2ccccc12
BDE(DFT): 111.5 kcal/molDistance: 0.03
Cc1ccccc1C(O)=S
BDE(DFT): 111.8 kcal/molDistance: 0.04
Fc1c[nH]c2ccccc12
BDE(DFT): 111.7 kcal/molDistance: 0.04
O=C1CCc2ccccc21
BDE(DFT): 111.5 kcal/molDistance: 0.04
C[C@@H](S)c1ccccc1Cl
BDE(DFT): 111.6 kcal/molDistance: 0.04