SMILES:
Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3c2N=C(c2ccccc2)CO3)c1=OMolecular Processing
Molecular formula
C20H12ClF4N3O3
Molecular weight
453.78
Exact mass
453.0503
XLogP
3.86
TPSA
65.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
105.38
Supplementary Information
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