O=C1COCC(=O)N1CCc1ccccc1Br
SMILES: O=C1COCC(=O)N1CCc1ccccc1Br

Molecular Processing

Molecular formula
C12H12BrNO3
Molecular weight
298.14
Exact mass
297.0001
XLogP
1.38
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.39

Supplementary Information

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