SMILES:
O=C(NCCCc1ccccc1C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C12H11F6NO
Molecular weight
299.21
Exact mass
299.0745
XLogP
3.32
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.83
Supplementary Information
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