COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C)ccc1OC
SMILES: COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C)ccc1OC

Molecular Processing

Molecular formula
C27H22F9NO3
Molecular weight
579.46
Exact mass
579.1456
XLogP
8.5
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
126.27

Supplementary Information

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