CC(=O)N1CCc2cc(Br)cc(C#N)c21
SMILES: CC(=O)N1CCc2cc(Br)cc(C#N)c21

Molecular Processing

Molecular formula
C11H9BrN2O
Molecular weight
265.11
Exact mass
263.9898
XLogP
2.23
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.59

Supplementary Information

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