이름: 8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
SMILES:
O=C1CCCOc2cc(Br)ccc21Molecular Processing
Molecular formula
C10H9BrO2
Molecular weight
241.08
Exact mass
239.9786
XLogP
2.8
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
53.2
Supplementary Information
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