이름: 2-benzylidene-but-3-yne nitrile
SMILES:
C#CC(C#N)=Cc1ccccc1Molecular Processing
Molecular formula
C11H7N
Molecular weight
153.18
Exact mass
153.0578
XLogP
2.23
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
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
Molar refractivity
48.87
Supplementary Information
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