SMILES:
O=C(NCCCn1ccnc1)c1ccncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C18H17FIN5O
Molecular weight
465.27
Exact mass
465.0462
XLogP
3.59
TPSA
71.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
105.81
Supplementary Information
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