Name: 21-chloro-9-fluoro-11β,17-dihydroxy-16α-[ (2-methyl-2-propenyl)oxy]pregna-1,4-diene-3,20-dione
SMILES:
C=C(C)CO[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CClMolecular Processing
Molecular formula
C25H32ClFO5
Molecular weight
466.98
Exact mass
466.1922
XLogP
3.47
TPSA
83.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
118.97
Supplementary Information
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