SMILES:
CCCCCCCCc1ccc(C(=O)CBr)cc1Molecular Processing
Molecular formula
C16H23BrO
Molecular weight
311.26
Exact mass
310.0932
XLogP
5.17
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
81.65
Supplementary Information
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