Название: 5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]2-fluorobenzonitrile
SMILES:
N#Cc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1FMolecular Processing
Molecular formula
C18H12Cl2F4N2
Molecular weight
403.21
Exact mass
402.0314
XLogP
5.71
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
92.14
Supplementary Information
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