이름: 2-bromo-1-(4-fluoro-phenyl)-3-(4-nitro-phenyl)-propan-1-one
SMILES:
O=C(c1ccc(F)cc1)C(Br)Cc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C15H11BrFNO3
Molecular weight
352.16
Exact mass
350.9906
XLogP
3.92
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
80.25
Supplementary Information
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