Nombre: 7α-(5-bromopentyl)-11β-fluoro-estr-4-ene-3,17-dione
SMILES:
C[C@]12C[C@H](F)[C@H]3[C@@H]([C@H](CCCCCBr)CC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=OMolecular Processing
Molecular formula
C23H32BrFO2
Molecular weight
439.41
Exact mass
438.157
XLogP
5.83
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.826
Molar refractivity
108.51
Supplementary Information
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