الاسم: product
SMILES:
CCCC(=O)N(C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#NMolecular Processing
Molecular formula
C23H18Cl3N3O
Molecular weight
458.78
Exact mass
457.0515
XLogP
7.01
TPSA
56.99
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
123.17
Supplementary Information
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