Name: 1-phenyl-2-(4-pyridyl)vinyl benzoate
SMILES:
O=C(OC(=Cc1ccncc1)c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C20H15NO2
Molecular weight
301.35
Exact mass
301.1103
XLogP
4.44
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
90.41
Supplementary Information
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