SMILES:
CCCc1nc(C)n(-c2ccc(O)c(F)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C28H24FN3O2
Molecular weight
453.52
Exact mass
453.1853
XLogP
5.47
TPSA
78.91
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
129.59
Supplementary Information
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