SMILES:
COc1ccc([N+](=O)[O-])cc1C(F)(F)C(F)(F)FMolecular Processing
Molecular formula
C9H6F5NO3
Molecular weight
271.14
Exact mass
271.0268
XLogP
3.26
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.6
Supplementary Information
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