Name: p-(n-octyl)benzylacetylene
SMILES:
C#CCc1ccc(CCCCCCCC)cc1Molecular Processing
Molecular formula
C17H24
Molecular weight
228.38
Exact mass
228.1878
XLogP
4.77
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
8
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
76.06
Supplementary Information
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