CCOC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1
SMILES: CCOC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

Molecular Processing

Molecular formula
C19H20BrF3N2O4S
Molecular weight
509.34
Exact mass
508.0279
XLogP
3.6
TPSA
96.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
103.98

Supplementary Information

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