SMILES:
COC(=O)c1ccc2c(CNCc3ccc(OC(F)(F)F)cc3)c(OC)ccc2c1Molecular Processing
Molecular formula
C22H20F3NO4
Molecular weight
419.4
Exact mass
419.1344
XLogP
4.82
TPSA
56.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
105.51
Supplementary Information
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