CS(=O)(=O)c1ccc(C(=O)OC2=CC(=O)CCC2)c(Cl)c1C1=NOC2OCCC12
SMILES: CS(=O)(=O)c1ccc(C(=O)OC2=CC(=O)CCC2)c(Cl)c1C1=NOC2OCCC12

Molecular Processing

Molecular formula
C19H18ClNO7S
Molecular weight
439.87
Exact mass
439.0493
XLogP
2.63
TPSA
108.33
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
102.39

Supplementary Information

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