名称: 4-p-tolyl-but-3-enenitrile
SMILES:
Cc1ccc(C=CCC#N)cc1Molecular Processing
Molecular formula
C11H11N
Molecular weight
157.22
Exact mass
157.0891
XLogP
2.92
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
50.44
Supplementary Information
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