SMILES:
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1OS(=O)(=O)C(F)(F)FMolecular Processing
Molecular formula
C14H9F6NO5S
Molecular weight
417.28
Exact mass
417.0106
XLogP
3.66
TPSA
82.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
78.3
Supplementary Information
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