O=C1CC(S(=O)(=O)c2ccccc2)C(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
SMILES: O=C1CC(S(=O)(=O)c2ccccc2)C(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

Molecular Processing

Molecular formula
C17H10Cl6O4S
Molecular weight
523.05
Exact mass
519.8431
XLogP
4.45
TPSA
68.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
109.36

Supplementary Information

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