이름: 3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]androsta-3,5,16-trien-17-yl trifluoromethanesulphonate
SMILES:
C[C@]12CCC(Oc3c(F)c(F)c(C(F)(F)F)c(F)c3F)=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
C27H24F10O4S
Molecular weight
634.53
Exact mass
634.1236
XLogP
8.46
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
42
Rings
5
Aromatic rings
1
Saturated rings
1
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
126.6
Supplementary Information
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