SMILES:
N#Cc1ccc([C@@]2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(OC(F)(F)F)cc1Molecular Processing
Molecular formula
C21H20F3NO7
Molecular weight
455.39
Exact mass
455.1192
XLogP
0.67
TPSA
143.4
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
100.96
Supplementary Information
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