Nom: (3RS,4SR)-3-(3,4-dichloro-phenyl)-4-[(RS)-1-(4-trifluoromethyl-phenoxy)-ethyl]-pyrrolidine
SMILES:
CC(Oc1ccc(C(F)(F)F)cc1)C1CNCC1c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C19H18Cl2F3NO
Molecular weight
404.26
Exact mass
403.0718
XLogP
5.78
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
97.1
Supplementary Information
Récupération des détails…
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