SMILES:
COc1ccc2c(C#N)cccc2c1C(F)(F)FMolecular Processing
Molecular formula
C13H8F3NO
Molecular weight
251.21
Exact mass
251.0558
XLogP
3.74
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
60.22
Supplementary Information
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