O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2CCCl)c(CCCl)c1
名称: 2-chloroethyl-4-nitrophenylsulfone
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2CCCl)c(CCCl)c1

Molecular Processing

Molecular formula
C16H14Cl2N2O6S
Molecular weight
433.27
Exact mass
431.995
XLogP
3.9
TPSA
120.42
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
100.49

Supplementary Information

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