SMILES:
CC(=O)CCCCBrMolecular Processing
Molecular formula
C6H11BrO
Molecular weight
179.06
Exact mass
177.9993
XLogP
2.14
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
38.33
Supplementary Information
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