Name: 7-Fluoro-5-methyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(-c2ccccc2)c(F)c2oc(/C=C/c3ccccc3)nc2c1C#NMolecular Processing
Molecular formula
C23H15FN2O
Molecular weight
354.38
Exact mass
354.1168
XLogP
5.98
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
104.23
Supplementary Information
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