SMILES:
COC(=O)C=Cc1cccc(Br)c1Molecular Processing
Molecular formula
C10H9BrO2
Molecular weight
241.08
Exact mass
239.9786
XLogP
2.64
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
55.19
Supplementary Information
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