CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(Br)C(C)=O)C1
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(Br)C(C)=O)C1

Molecular Processing

Molecular formula
C23H35BrO3
Molecular weight
439.43
Exact mass
438.177
XLogP
5.68
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
109.62

Supplementary Information

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