SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCOC(=O)CCCCCCCCCCCCCCCCC.[Br-]Molecular Processing
Molecular formula
C41H84BrNO2
Molecular weight
703.03
Exact mass
701.5685
XLogP
10.52
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
37
Heavy atoms
45
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.976
Molar refractivity
196.51
Supplementary Information
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