SMILES:
CC(O)(CO)COc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1Molecular Processing
Molecular formula
C22H26F3NO5
Molecular weight
441.45
Exact mass
441.1763
XLogP
3.76
TPSA
71.39
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
108.63
Supplementary Information
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