SMILES:
Fc1ccc(-c2nc3nn(CCCOC4CCCCO4)cc3c(-c3ccco3)c2-c2ccncc2)cc1Molecular Processing
Molecular formula
C29H27FN4O3
Molecular weight
498.56
Exact mass
498.2067
XLogP
6.49
TPSA
75.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
138.01
Supplementary Information
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