COC(=O)C(C)(OCC(C)(O)c1cccc(Br)c1)C(F)(F)F
SMILES: COC(=O)C(C)(OCC(C)(O)c1cccc(Br)c1)C(F)(F)F

Molecular Processing

Molecular formula
C14H16BrF3O4
Molecular weight
385.18
Exact mass
384.0184
XLogP
3.17
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.14

Supplementary Information

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