SMILES:
O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H6F3NO4
Molecular weight
249.14
Exact mass
249.0249
XLogP
2.24
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.44
Supplementary Information
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