O=C1CCC(=O)C1c1cc(Br)ccc1C1CC1
SMILES: O=C1CCC(=O)C1c1cc(Br)ccc1C1CC1

Molecular Processing

Molecular formula
C14H13BrO2
Molecular weight
293.16
Exact mass
292.0099
XLogP
3.34
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
68.11

Supplementary Information

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