SMILES:
C=C(C)COc1c(F)c(F)c(C#N)c(F)c1C#NMolecular Processing
Molecular formula
C12H7F3N2O
Molecular weight
252.19
Exact mass
252.051
XLogP
2.8
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
56.06
Supplementary Information
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