SMILES:
CONC(=O)c1ccc(=O)n(C)c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C14H13FIN3O3
Molecular weight
417.18
Exact mass
416.9986
XLogP
2.16
TPSA
72.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
88.56
Supplementary Information
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