SMILES:
COC(=O)c1nn(-c2cc3c(cc2F)OC(F)(F)O3)cc(OC)c1=OMolecular Processing
Molecular formula
C14H9F3N2O6
Molecular weight
358.23
Exact mass
358.0413
XLogP
1.49
TPSA
88.88
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
73.89
Supplementary Information
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