CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1C#N
SMILES: CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1C#N

Molecular Processing

Molecular formula
C21H13F9N2O2
Molecular weight
496.33
Exact mass
496.0833
XLogP
6.7
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
96.83

Supplementary Information

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