SMILES:
CCCCSC1CC(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)ClMolecular Processing
Molecular formula
C15H14Cl6O2S
Molecular weight
471.06
Exact mass
467.8846
XLogP
5.51
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
103.1
Supplementary Information
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