이름: 3-[3-(2-chlorophenylsulfonyloxy)-5-methylphenoxy]propionaldehyde
SMILES:
Cc1cc(OCCC=O)cc(OS(=O)(=O)c2ccccc2Cl)c1Molecular Processing
Molecular formula
C16H15ClO5S
Molecular weight
354.81
Exact mass
354.0329
XLogP
3.38
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
86.62
Supplementary Information
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