Название: ethyl 3-chloro-5-nitro-4-cyclohexylphenyglyoxylate
SMILES:
CCOC(=O)C(=O)c1cc(Cl)c(C2CCCCC2)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C16H18ClNO5
Molecular weight
339.78
Exact mass
339.0874
XLogP
4.04
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
84.9
Supplementary Information
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