SMILES:
CCOC(=O)/C(C#N)=C/c1cccc2c1OC(F)(F)O2Molecular Processing
Molecular formula
C13H9F2NO4
Molecular weight
281.21
Exact mass
281.05
XLogP
2.48
TPSA
68.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
62.87
Supplementary Information
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