COCN(c1cc(Cl)cnc1C(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
SMILES: COCN(c1cc(Cl)cnc1C(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

Molecular Processing

Molecular formula
C21H14Cl3F3N2O4S
Molecular weight
553.77
Exact mass
551.9692
XLogP
6.09
TPSA
76.57
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
122.13

Supplementary Information

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