SMILES:
COc1cccc(OC)c1C(=O)N1CCC(CCOS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)C1Molecular Processing
Molecular formula
C22H25Cl2NO6S
Molecular weight
502.42
Exact mass
501.078
XLogP
4.16
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
123.62
Supplementary Information
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