SMILES:
O=C(O)CCCCC#CCBrMolecular Processing
Molecular formula
C8H11BrO2
Molecular weight
219.08
Exact mass
217.9942
XLogP
2.03
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
47.67
Supplementary Information
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