SMILES:
C#CCOCc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C17H12ClF4NO2
Molecular weight
373.73
Exact mass
373.0493
XLogP
4.01
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
85.58
Supplementary Information
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