이름: 7-[4-nitro-3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
SMILES:
O=[N+]([O-])c1ccc(N2C3CCC2CC3)cc1C(F)(F)FMolecular Processing
Molecular formula
C13H13F3N2O2
Molecular weight
286.25
Exact mass
286.0929
XLogP
3.74
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
66.62
Supplementary Information
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