SMILES:
CC(C)CCC(COC(F)F)N1CCC(CC(=O)O)CC1c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C22H30F5NO3
Molecular weight
451.48
Exact mass
451.2146
XLogP
5.98
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
105.68
Supplementary Information
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