SMILES:
O=C(O)C1CC1c1cc(F)ccc1BrMolecular Processing
Molecular formula
C10H8BrFO2
Molecular weight
259.07
Exact mass
257.9692
XLogP
2.78
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
52.58
Supplementary Information
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