Название: (E)-3-[(2R,5S)-1-(3-butenoyl)-5-(3,4,5-trifluorophenyl)pyrrolidin-2-yl]acrylic acid ethyl ester
SMILES:
C=CCC(=O)N1[C@@H](/C=C/C(=O)OCC)CC[C@H]1c1cc(F)c(F)c(F)c1Molecular Processing
Molecular formula
C19H20F3NO3
Molecular weight
367.37
Exact mass
367.1395
XLogP
3.83
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
89.51
Supplementary Information
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