SMILES:
O=C(NN1CCCCC1)c1ccncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C17H18FIN4O
Molecular weight
440.26
Exact mass
440.0509
XLogP
3.7
TPSA
57.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
99.53
Supplementary Information
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