SMILES:
CCC(=O)BrMolecular Processing
Molecular formula
C3H5BrO
Molecular weight
136.98
Exact mass
135.9524
XLogP
1.32
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
5
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
0.667
Molar refractivity
24.22
Supplementary Information
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