SMILES:
COC(=O)C(C)Nc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C16H14ClF4N3O3
Molecular weight
407.75
Exact mass
407.066
XLogP
3.23
TPSA
73.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
89.98
Supplementary Information
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