الاسم: N—[(S)-2-(5-bromo-2-fluoro-phenyl)-2-hydroxy-propyl]-2-nitro-benzenesulfonamide
SMILES:
C[C@@](O)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(Br)ccc1FMolecular Processing
Molecular formula
C15H14BrFN2O5S
Molecular weight
433.26
Exact mass
431.9791
XLogP
2.68
TPSA
109.54
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
91.96
Supplementary Information
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