CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 111.2 kcal/mol
Similar DFT-Calculated Bonds
CONCc1ccccc1
BDE(DFT): 111.2 kcal/molDistance: 0.00
CS[C@H](C)c1ccccc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
CP(C)(=O)c1ccccc1
BDE(DFT): 111.1 kcal/molDistance: 0.00
O=[P@@H](O)Cc1ccccc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
N#CNCc1ccccc1
BDE(DFT): 111.4 kcal/molDistance: 0.00
CSCCc1ccccc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
C=C[C@H](N)c1ccccc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
c1ccc([C@@H]2CN2)cc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
O[C@@H](CS)c1ccccc1
BDE(DFT): 111.3 kcal/molDistance: 0.00
c1ccc(CC2CC2)cc1
BDE(DFT): 111.3 kcal/molDistance: 0.00