SMILES:
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC1(c1cc(Br)ccc1F)C(F)FMolecular Processing
Molecular formula
C15H10BrF3N2O4S
Molecular weight
451.22
Exact mass
449.9497
XLogP
3.66
TPSA
80.29
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
88.77
Supplementary Information
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