SMILES:
OC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1Molecular Processing
Molecular formula
C12H11F6NO
Molecular weight
299.21
Exact mass
299.0745
XLogP
3.3
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
59.28
Supplementary Information
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