Название: 5
SMILES:
O=C(NCCOCC#CCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)FMolecular Processing
Molecular formula
C17H20F3N3O6
Molecular weight
419.36
Exact mass
419.1304
XLogP
-0.55
TPSA
122.65
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.92
Supplementary Information
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