O=C1CCC(Br)CC1
SMILES: O=C1CCC(Br)CC1

Molecular Processing

Molecular formula
C6H9BrO
Molecular weight
177.04
Exact mass
175.9837
XLogP
1.89
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
36.19

Supplementary Information

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