CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(O)CC2)c2ncnn12
SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(O)CC2)c2ncnn12

Molecular Processing

Molecular formula
C28H28FN5O2
Molecular weight
485.56
Exact mass
485.2227
XLogP
4.59
TPSA
96.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
134.11

Supplementary Information

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