SMILES:
O=C(O)C1(c2ccc(Br)c3ccccc23)CC1Molecular Processing
Molecular formula
C14H11BrO2
Molecular weight
291.14
Exact mass
289.9942
XLogP
3.72
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
70.2
Supplementary Information
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