SMILES:
CC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3(Br)C(F)CC21CMolecular Processing
Molecular formula
C23H30BrFO4
Molecular weight
469.39
Exact mass
468.1311
XLogP
4.87
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
110.34
Supplementary Information
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