Nombre: androsta-3,5,16-trien-17-yl trifluoromethanesulphonate
SMILES:
C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]12Molecular Processing
Molecular formula
C20H25F3O3S
Molecular weight
402.48
Exact mass
402.1477
XLogP
5.48
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
95.75
Supplementary Information
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