Название: 36
SMILES:
COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21CMolecular Processing
Molecular formula
C21H25BrO6
Molecular weight
453.33
Exact mass
452.0835
XLogP
3.83
TPSA
82.81
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
102.43
Supplementary Information
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