이름: 9-fluoro-11β,17,21-trihydroxy-16α-[(2-methyl-oxiranyl)methoxy]pregn-4-ene-3,20-dione
SMILES:
CC1(CO[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O)C(=O)CO)CO1Molecular Processing
Molecular formula
C25H35FO7
Molecular weight
466.55
Exact mass
466.2367
XLogP
1.66
TPSA
116.59
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.84
Molar refractivity
114.97
Supplementary Information
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