SMILES:
C[C@H](NC(=O)C1CC1)c1ccc(N2CCC(c3cc(C(F)(F)F)nc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Molecular Processing
Molecular formula
C24H22F9N3O
Molecular weight
539.44
Exact mass
539.1619
XLogP
6.42
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
114.53
Supplementary Information
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