O=[N+]([O-])c1ccc(C=CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
SMILES: O=[N+]([O-])c1ccc(C=CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

Molecular Processing

Molecular formula
C26H25F2N3O2
Molecular weight
449.5
Exact mass
449.1915
XLogP
5.29
TPSA
49.62
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
124.79

Supplementary Information

Details werden geladen…

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