CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2OS(=O)(=O)C(F)(F)F)cc1
SMILES: CCOC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2OS(=O)(=O)C(F)(F)F)cc1

Molecular Processing

Molecular formula
C21H17Cl2F3N2O5S
Molecular weight
537.34
Exact mass
536.0187
XLogP
5.87
TPSA
87.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
119.5

Supplementary Information

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