الاسم: 1-(3-bromo-4-nitrophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine
SMILES:
O=[N+]([O-])c1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1BrMolecular Processing
Molecular formula
C17H12BrCl2F3N2O2
Molecular weight
484.1
Exact mass
481.9411
XLogP
6.37
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
101.82
Supplementary Information
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