SMILES:
CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1C=OMolecular Processing
Molecular formula
C21H14F9NO3
Molecular weight
499.33
Exact mass
499.083
XLogP
6.64
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
97.5
Supplementary Information
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