Name: (E)-2-[8-(bromomethyl)-3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene]propanenitrile
SMILES:
C/C(C#N)=C1/c2ccc(CBr)cc2COc2cc(F)ccc21Molecular Processing
Molecular formula
C18H13BrFNO
Molecular weight
358.21
Exact mass
357.0165
XLogP
4.96
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
87.11
Supplementary Information
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Involved in 36 reactions→