이름: 1,4-phenylenediacetonitrile
SMILES:
N#CCc1ccc(CC#N)cc1Molecular Processing
Molecular formula
C10H8N2
Molecular weight
156.19
Exact mass
156.0687
XLogP
1.82
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
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
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
45.08
Supplementary Information
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