SMILES:
O=C(NOCCO)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C16H14FIN4O3
Molecular weight
456.22
Exact mass
456.0095
XLogP
2.7
TPSA
99.27
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
99
Supplementary Information
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