Name: 2-cyano-2-(2,4-dichlorophenyl)hexyl methane sulfonate
SMILES:
CCCCC(C#N)(COS(C)(=O)=O)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C14H17Cl2NO3S
Molecular weight
350.27
Exact mass
349.0306
XLogP
3.92
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
84.07
Supplementary Information
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