SMILES:
COC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH]1Molecular Processing
Molecular formula
C16H12F3N3O6S
Molecular weight
431.35
Exact mass
431.0399
XLogP
3.41
TPSA
119.61
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
93.06
Supplementary Information
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