Название: 1-[6-(5-bromo-2-chloro-benzyl)-2,3-dihydro-benzo[1,4]oxazin-4-yl]-2,2,2-trifluoro-ethanone
SMILES:
O=C(N1CCOc2ccc(Cc3cc(Br)ccc3Cl)cc21)C(F)(F)FMolecular Processing
Molecular formula
C17H12BrClF3NO2
Molecular weight
434.64
Exact mass
432.9692
XLogP
4.98
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
92.3
Supplementary Information
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