Name: 4-(5-bromopyridin-2-yl)cyclohexanone
SMILES:
O=C1CCC(c2ccc(Br)cn2)CC1Molecular Processing
Molecular formula
C11H12BrNO
Molecular weight
254.13
Exact mass
253.0102
XLogP
3.07
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
58.15
Supplementary Information
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