SMILES:
CC(=O)OC1CC2=CC=C3C4CCC(C(C)CBr)C4(C)CCC3C2(C)C(OC(C)=O)C1Molecular Processing
Molecular formula
C26H37BrO4
Molecular weight
493.48
Exact mass
492.1875
XLogP
5.99
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
124.62
Supplementary Information
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