CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(Br)CC21C
SMILES: CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(Br)CC21C

Molecular Processing

Molecular formula
C23H30BrFO5
Molecular weight
485.39
Exact mass
484.1261
XLogP
3.85
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
111.75

Supplementary Information

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