이름: 1-[4-[(6-Bromohexyl)oxy]butyl]-4-nitrobenzene
SMILES:
O=[N+]([O-])c1ccc(CCCCOCCCCCCBr)cc1Molecular Processing
Molecular formula
C16H24BrNO3
Molecular weight
358.28
Exact mass
357.094
XLogP
4.89
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
89.12
Supplementary Information
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