SMILES:
CCOC(=O)C=C(OC)C(C)Oc1ccc(Oc2ccc(CF)cc2[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C21H22FNO7
Molecular weight
419.41
Exact mass
419.138
XLogP
4.72
TPSA
97.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
106.24
Supplementary Information
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