SMILES:
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(N)c(Cl)cc2F)c1=OMolecular Processing
Molecular formula
C12H8ClF4N3O2
Molecular weight
337.66
Exact mass
337.0241
XLogP
1.93
TPSA
70.02
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
71.66
Supplementary Information
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