Cl.Cl.Fc1ccc(C2=CCN(Cc3ccc(-c4nc(CC5CCN(C6CCCC6)CC5)no4)cc3)CC2)cc1
SMILES: Cl.Cl.Fc1ccc(C2=CCN(Cc3ccc(-c4nc(CC5CCN(C6CCCC6)CC5)no4)cc3)CC2)cc1

Molecular Processing

Molecular formula
C31H39Cl2FN4O
Molecular weight
573.58
Exact mass
572.2485
XLogP
7.21
TPSA
45.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.484
Molar refractivity
158.76

Supplementary Information

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