SMILES:
CC(=O)OC1OCCCC1BrMolecular Processing
Molecular formula
C7H11BrO3
Molecular weight
223.07
Exact mass
221.9892
XLogP
1.45
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
43.46
Supplementary Information
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