이름: 4-But-3-ynyl-benzonitrile
SMILES:
C#CCCc1ccc(C#N)cc1Molecular Processing
Molecular formula
C11H9N
Molecular weight
155.2
Exact mass
155.0735
XLogP
2.12
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
48.31
Supplementary Information
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