CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 93.6 kcal/mol
Similar DFT-Calculated Bonds
C[C@]1(C(N)=O)CO1
BDE(DFT): 93.6 kcal/molDistance: 0.86
CC(=O)C1C(C)(C)C1(C)C
BDE(DFT): 93.3 kcal/molDistance: 0.89
C=C(Cl)CN1CC[C@H]1CO
BDE(DFT): 93.1 kcal/molDistance: 0.89
CCCC(CO)=C1CC1
BDE(DFT): 93.5 kcal/molDistance: 0.92
O=C(/C=N/O)c1ccco1
BDE(DFT): 91.3 kcal/molDistance: 0.92
C=C(Cl)CN1CC[C@@H]1CO
BDE(DFT): 93.2 kcal/molDistance: 0.93
C/C(=C\C(C)C)[C@H](C)O
BDE(DFT): 93.3 kcal/molDistance: 0.94
Cc1ccccc1CC=O
BDE(DFT): 94.3 kcal/molDistance: 0.95
O=C(O)C1(C(F)F)COC1
BDE(DFT): 93.5 kcal/molDistance: 0.95
CCC(=O)C1=NCCC1
BDE(DFT): 93.5 kcal/molDistance: 0.97