SMILES:
C#CC(C)Oc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C16H11ClF4N2O2
Molecular weight
374.72
Exact mass
374.0445
XLogP
3.66
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
83.81
Supplementary Information
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