SMILES:
CCCCCCCCCCOn1nc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c2ccc(F)cc21.ClMolecular Processing
Molecular formula
C31H41ClFN5O3
Molecular weight
586.15
Exact mass
585.2882
XLogP
5.58
TPSA
70.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.516
Molar refractivity
161.46
Supplementary Information
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