SMILES:
COC(=O)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1FMolecular Processing
Molecular formula
C16H13BrF2O4
Molecular weight
387.18
Exact mass
385.9965
XLogP
4.46
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.68
Supplementary Information
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