SMILES:
CCOC(=O)C=C(OC)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C21H20F3NO7
Molecular weight
455.39
Exact mass
455.1192
XLogP
5.27
TPSA
97.13
H-bond donors
0
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
106.43
Supplementary Information
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