الاسم: 2-bromo-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]aniline
SMILES:
Nc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1BrMolecular Processing
Molecular formula
C17H14BrCl2F3N2
Molecular weight
454.12
Exact mass
451.967
XLogP
6.05
TPSA
29.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
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
0.294
Molar refractivity
99.58
Supplementary Information
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