Nombre: 21-chloro-20-methoxy-21-(phenylsulfinyl)pregna-4,9(11),17(20)-trien-3-one
SMILES:
COC(=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(Cl)S(=O)c1ccccc1Molecular Processing
Molecular formula
C28H33ClO3S
Molecular weight
485.09
Exact mass
484.1839
XLogP
6.71
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
133.21
Supplementary Information
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