SMILES:
CC(C)N1OCCC(Br)C1=OMolecular Processing
Molecular formula
C7H12BrNO2
Molecular weight
222.08
Exact mass
221.0051
XLogP
1.32
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
45.27
Supplementary Information
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