O=[N+]([O-])c1cc2c(C=Cc3ccc4c(c3)OCO4)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F
SMILES: O=[N+]([O-])c1cc2c(C=Cc3ccc4c(c3)OCO4)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

Molecular Processing

Molecular formula
C35H24FN3O4
Molecular weight
569.59
Exact mass
569.1751
XLogP
7.82
TPSA
79.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
43
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.057
Molar refractivity
162.44

Supplementary Information

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