SMILES:
COC(=O)CC(C)BrMolecular Processing
Molecular formula
C5H9BrO2
Molecular weight
181.03
Exact mass
179.9786
XLogP
1.33
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
35.02
Supplementary Information
Récupération des détails…
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