الاسم: 1-[6-(5-bromo-2-chloro-benzoyl)-2,3-dihydro-benzo[1,4]oxazin-4-yl]-2,2,2-trifluoro-ethanone
SMILES:
O=C(c1ccc2c(c1)N(C(=O)C(F)(F)F)CCO2)c1cc(Br)ccc1ClMolecular Processing
Molecular formula
C17H10BrClF3NO3
Molecular weight
448.62
Exact mass
446.9485
XLogP
4.62
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.93
Supplementary Information
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