COC1CC2(C)C(CCC3C4CCC(C(=O)CBr)C4(C)CC(=O)C32)CC1O
SMILES: COC1CC2(C)C(CCC3C4CCC(C(=O)CBr)C4(C)CC(=O)C32)CC1O

Molecular Processing

Molecular formula
C22H33BrO4
Molecular weight
441.41
Exact mass
440.1562
XLogP
3.77
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
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
0.909
Molar refractivity
106.59

Supplementary Information

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