SMILES:
C[C@H](NC(CC#N)c1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1Molecular Processing
Molecular formula
C26H22ClF2N3
Molecular weight
449.93
Exact mass
449.147
XLogP
6.45
TPSA
59.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
120.98
Supplementary Information
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