SMILES:
CCOc1cc(C(F)(F)F)ccc1C#NMolecular Processing
Molecular formula
C10H8F3NO
Molecular weight
215.17
Exact mass
215.0558
XLogP
2.98
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
47.33
Supplementary Information
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