Название: (3R,4S)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILES:
CC(C)(C)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)C1.ClMolecular Processing
Molecular formula
C15H20ClF2NO2
Molecular weight
319.78
Exact mass
319.1151
XLogP
3.29
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.533
Molar refractivity
78.8
Supplementary Information
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