名称: product
SMILES:
CCC(=O)N(CC(C)C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#NMolecular Processing
Molecular formula
C25H22Cl3N3O
Molecular weight
486.83
Exact mass
485.0828
XLogP
7.65
TPSA
56.99
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
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
0.24
Molar refractivity
132.34
Supplementary Information
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