SMILES:
CCCCC(Br)C(=O)OCCMolecular Processing
Molecular formula
C8H15BrO2
Molecular weight
223.11
Exact mass
222.0255
XLogP
2.5
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
11
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
0.875
Molar refractivity
48.87
Supplementary Information
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