이름: 7-Fluoro-5-methyl-2-(methylamino)-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CNc1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1Molecular Processing
Molecular formula
C16H12FN3O
Molecular weight
281.29
Exact mass
281.0964
XLogP
3.86
TPSA
61.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
78.4
Supplementary Information
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