이름: title compound
SMILES:
O=C(CCCBr)OCC1c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C18H17BrO2
Molecular weight
345.24
Exact mass
344.0412
XLogP
4.52
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.71
Supplementary Information
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