SMILES:
Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)OCCO)n1Molecular Processing
Molecular formula
C22H20ClF3N4O4
Molecular weight
496.87
Exact mass
496.1125
XLogP
4.71
TPSA
105.48
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
118.97
Supplementary Information
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