이름: 4-(4-Pyridin-2-yl-but-3-ynyl)-benzonitrile
SMILES:
N#Cc1ccc(CCC#Cc2ccccn2)cc1Molecular Processing
Molecular formula
C16H12N2
Molecular weight
232.29
Exact mass
232.1
XLogP
2.94
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
70.59
Supplementary Information
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