SMILES:
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc3c2OC(F)(F)O3)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C14H6F5N3O6
Molecular weight
407.21
Exact mass
407.0177
XLogP
4.59
TPSA
116.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
80.68
Supplementary Information
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