CC(=O)OC1CC2CCC3C4CCC(C(C)=O)C4(C)CC(=O)C3C2(C)CC1Br
SMILES: CC(=O)OC1CC2CCC3C4CCC(C(C)=O)C4(C)CC(=O)C3C2(C)CC1Br

Molecular Processing

Molecular formula
C23H33BrO4
Molecular weight
453.42
Exact mass
452.1562
XLogP
4.72
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.87
Molar refractivity
109.94

Supplementary Information

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