SMILES:
CCOC(=O)C=C(OC)C(C)Oc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C21H21F3N2O6
Molecular weight
454.4
Exact mass
454.1352
XLogP
5.22
TPSA
99.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
109.64
Supplementary Information
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