SMILES:
CCCCN(C)C(=O)c1cc(I)cc(C(=O)OC)c1Molecular Processing
Molecular formula
C14H18INO3
Molecular weight
375.21
Exact mass
375.0331
XLogP
2.95
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
82.37
Supplementary Information
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