CNC(=O)c1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)cc2C#N)cc1
SMILES: CNC(=O)c1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)cc2C#N)cc1

Molecular Processing

Molecular formula
C28H21Cl2N3O2
Molecular weight
502.4
Exact mass
501.1011
XLogP
6.84
TPSA
75.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
138.75

Supplementary Information

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