SMILES:
O=C1CC(c2ccc(Br)cc2)C1Molecular Processing
Molecular formula
C10H9BrO
Molecular weight
225.08
Exact mass
223.9837
XLogP
2.9
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.12
Supplementary Information
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